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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O5/c27-19-26(14-8-3-9-15-26)29-23(30)18-33-24(31)22(16-20-10-4-1-5-11-20)28-25(32)34-17-21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-18H2,(H,28,32)(H,29,30)