methyl (3S)-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-propan-2-yl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-propan-2-yl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-2-[(3-tert-butoxy-3-oxo-propyl)-isopropyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-propan-2-ylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-propan-2-ylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(3-tert-butoxy-3-keto-propyl)-isopropyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(=O)OC(C)(C)C)C(=O)N1CC2=CC=CC=C2CC1C(=O)OC

Isomeric SMILES

CC(C)N(CCC(=O)OC(C)(C)C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OC

InChI

InChI=1S/C22H32N2O5/c1-15(2)23(12-11-19(25)29-22(3,4)5)21(27)24-14-17-10-8-7-9-16(17)13-18(24)20(26)28-6/h7-10,15,18H,11-14H2,1-6H3/t18-/m0/s1