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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C3(CCCCC3)C#N

InChI

InChI=1S/C26H29N3O4/c1-29(26(19-27)15-9-4-10-16-26)23(30)18-33-25(32)22(17-20-11-5-2-6-12-20)28-24(31)21-13-7-3-8-14-21/h2-3,5-8,11-14,22H,4,9-10,15-18H2,1H3,(H,28,31)