tert-butyl (3S)-3-[(2S)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(2S)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[(2S)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[(2S)-2-[(4-methoxyanilino)-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(2S)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[(2S)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N3CCC[C@H]3C(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H33N3O5/c1-27(2,3)35-26(33)30-17-19-9-6-5-8-18(19)16-23(30)25(32)29-15-7-10-22(29)24(31)28-20-11-13-21(34-4)14-12-20/h5-6,8-9,11-14,22-23H,7,10,15-17H2,1-4H3,(H,28,31)/t22-,23-/m0/s1