[1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [2-[(2-benzyloxy-1-cyano-ethyl)amino]-1-methyl-2-oxo-ethyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-1-oxopropan-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [2-[(2-benzoxy-1-cyano-ethyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(COCC1=CC=CC=C1)C#N)OC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C(=O)NC(COCC1=CC=CC=C1)C#N)OC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C23H25N3O4/c1-17(30-23(28)26-12-11-19-9-5-6-10-20(19)14-26)22(27)25-21(13-24)16-29-15-18-7-3-2-4-8-18/h2-10,17,21H,11-12,14-16H2,1H3,(H,25,27)