[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O5/c1-19-10-9-11-20(2)25(19)29-24(30)18-33-26(31)23(16-21-12-5-3-6-13-21)28-27(32)34-17-22-14-7-4-8-15-22/h3-15,23H,16-18H2,1-2H3,(H,28,32)(H,29,30)