2,2,2-tris(chloranyl)ethyl (1R,3S)-1-(acetyloxymethyl)-8-methoxy-3-[(2R,3R,5S)-3-(methoxymethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(phenylmethoxymethyl)pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (1R,3S)-1-(acetyloxymethyl)-8-methoxy-3-[(2R,3R,5S)-3-(methoxymethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(phenylmethoxymethyl)pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 2,2,2-trichloroethyl (1R,3S)-1-(acetoxymethyl)-3-[(2R,3R,5S)-5-(benzyloxymethyl)-1-tert-butoxycarbonyl-3-(methoxymethoxymethyl)pyrrolidin-2-yl]-8-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1R,3S)-1-(acetyloxymethyl)-8-methoxy-3-[(2R,3R,5S)-3-(methoxymethoxymethyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-(phenylmethoxymethyl)-2-pyrrolidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (1R,3S)-1-(acetyloxymethyl)-8-methoxy-3-[(2R,3R,5S)-3-(methoxymethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(phenylmethoxymethyl)pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1R,3S)-1-(acetoxymethyl)-3-[(2R,3R,5S)-5-(benzoxymethyl)-1-tert-butoxycarbonyl-3-(methoxymethoxymethyl)pyrrolidin-2-yl]-8-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C36H47Cl3N2O10 MolecularWeight: 774.12478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C2=C(CC(N1C(=O)OCC(Cl)(Cl)Cl)C3C(CC(N3C(=O)OC(C)(C)C)COCC4=CC=CC=C4)COCOC)C=CC=C2OC

Isomeric SMILES

CC(=O)OC[C@H]1C2=C(C[C@H](N1C(=O)OCC(Cl)(Cl)Cl)[C@H]3[C@@H](C[C@H](N3C(=O)OC(C)(C)C)COCC4=CC=CC=C4)COCOC)C=CC=C2OC

InChI

InChI=1S/C36H47Cl3N2O10/c1-23(42)49-20-29-31-25(13-10-14-30(31)46-6)16-28(41(29)33(43)50-21-36(37,38)39)32-26(18-48-22-45-5)15-27(40(32)34(44)51-35(2,3)4)19-47-17-24-11-8-7-9-12-24/h7-14,26-29,32H,15-22H2,1-6H3/t26-,27-,28-,29-,32+/m0/s1