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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenyl-propanoate CAS Name: 3-[[(2-chlorophenyl)-oxomethyl]amino]-3-phenylpropanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate Traditional Name: 3-[(2-chlorobenzoyl)amino]-3-phenyl-propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C25H26ClN3O4 MolecularWeight: 467.94464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C25H26ClN3O4/c26-20-12-6-5-11-19(20)24(32)28-21(18-9-3-1-4-10-18)15-23(31)33-16-22(30)29-25(17-27)13-7-2-8-14-25/h1,3-6,9-12,21H,2,7-8,13-16H2,(H,28,32)(H,29,30)