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

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-1-oxidanylidene-butan-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 1-[(2-benzyloxy-1-cyano-ethyl)carbamoyl]propyl 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-1-oxobutan-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid 1-[(2-benzoxy-1-cyano-ethyl)carbamoyl]propyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-2-22(31-24(29)27-13-12-19-10-6-7-11-20(19)15-27)23(28)26-21(14-25)17-30-16-18-8-4-3-5-9-18/h3-11,21-22H,2,12-13,15-17H2,1H3,(H,26,28)