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

Systemtic Name: methyl (3R)-2-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-oxo-2-[4-(1-piperidyl)anilino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-oxo-2-[4-(1-piperidinyl)anilino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-keto-2-(4-piperidinoanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1CC(=O)NC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1CC(=O)NC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C24H29N3O3/c1-30-24(29)22-15-18-7-3-4-8-19(18)16-27(22)17-23(28)25-20-9-11-21(12-10-20)26-13-5-2-6-14-26/h3-4,7-12,22H,2,5-6,13-17H2,1H3,(H,25,28)/t22-/m1/s1