methyl (3R)-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-keto-2-(4-pyrrolidinoanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1CC(=O)NC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1CC(=O)NC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C23H27N3O3/c1-29-23(28)21-14-17-6-2-3-7-18(17)15-26(21)16-22(27)24-19-8-10-20(11-9-19)25-12-4-5-13-25/h2-3,6-11,21H,4-5,12-16H2,1H3,(H,24,27)/t21-/m1/s1