[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenyl-propanoate CAS Name: 3-[[(2-chlorophenyl)-oxomethyl]amino]-3-phenylpropanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate Traditional Name: 3-[(2-chlorobenzoyl)amino]-3-phenyl-propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C26H28ClN3O4 MolecularWeight: 481.97122

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2Cl)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2Cl)C3(CCCCC3)C#N

InChI

InChI=1S/C26H28ClN3O4/c1-30(26(18-28)14-8-3-9-15-26)23(31)17-34-24(32)16-22(19-10-4-2-5-11-19)29-25(33)20-12-6-7-13-21(20)27/h2,4-7,10-13,22H,3,8-9,14-17H2,1H3,(H,29,33)