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

Systemtic Name: methyl (3R)-2-[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-acetylanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(2-acetylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-acetylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2-acetylanilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)CN2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)CN2CC3=CC=CC=C3C[C@@H]2C(=O)OC

InChI

InChI=1S/C21H22N2O4/c1-14(24)17-9-5-6-10-18(17)22-20(25)13-23-12-16-8-4-3-7-15(16)11-19(23)21(26)27-2/h3-10,19H,11-13H2,1-2H3,(H,22,25)/t19-/m1/s1