[1-[(1-cyano-2-phenylmethoxy-ethyl)carbamoyl]cyclohexyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)carbamoyl]cyclohexyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [1-[(2-benzyloxy-1-cyano-ethyl)carbamoyl]cyclohexyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [1-[[(1-cyano-2-phenylmethoxyethyl)amino]-oxomethyl]cyclohexyl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)carbamoyl]cyclohexyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [1-[(2-benzoxy-1-cyano-ethyl)carbamoyl]cyclohexyl] ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC(COCC2=CC=CC=C2)C#N)OC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCC(CC1)(C(=O)NC(COCC2=CC=CC=C2)C#N)OC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H31N3O4/c28-17-24(20-33-19-21-9-3-1-4-10-21)29-25(31)27(14-7-2-8-15-27)34-26(32)30-16-13-22-11-5-6-12-23(22)18-30/h1,3-6,9-12,24H,2,7-8,13-16,18-20H2,(H,29,31)