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

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [1-[(2-benzyloxy-1-cyano-ethyl)carbamoyl]-3-methyl-butyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methyl-1-oxopentan-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]-3-methyl-butyl] ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4/c1-19(2)14-24(33-26(31)29-13-12-21-10-6-7-11-22(21)16-29)25(30)28-23(15-27)18-32-17-20-8-4-3-5-9-20/h3-11,19,23-24H,12-14,16-18H2,1-2H3,(H,28,30)