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

Systemtic Name: [1-[[1-cyano-2-[(4-methoxyphenyl)methoxy]ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [1-[[1-cyano-2-[(4-methoxyphenyl)methoxy]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-[(4-methoxyphenyl)methoxy]ethyl]amino]-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[[1-cyano-2-[(4-methoxyphenyl)methoxy]ethyl]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-[(1-cyano-2-p-anisyloxy-ethyl)carbamoyl]-3-methyl-butyl] ester Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O5/c1-19(2)14-25(35-27(32)30-13-12-21-6-4-5-7-22(21)16-30)26(31)29-23(15-28)18-34-17-20-8-10-24(33-3)11-9-20/h4-11,19,23,25H,12-14,16-18H2,1-3H3,(H,29,31)