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

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [2-[(2-benzyloxy-1-cyano-ethyl)amino]-1-(cyclopropylmethyl)-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]-3-cyclopropyl-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-3-cyclopropyl-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]-1-(cyclopropylmethyl)-2-keto-ethyl] ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(C(=O)NC(COCC2=CC=CC=C2)C#N)OC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC1CC(C(=O)NC(COCC2=CC=CC=C2)C#N)OC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H29N3O4/c27-15-23(18-32-17-20-6-2-1-3-7-20)28-25(30)24(14-19-10-11-19)33-26(31)29-13-12-21-8-4-5-9-22(21)16-29/h1-9,19,23-24H,10-14,16-18H2,(H,28,30)