(phenylmethyl) 5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-[(3-phenylmethoxyphenyl)amino]pentanoate

Systemtic Name: (phenylmethyl) 5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-[(3-phenylmethoxyphenyl)amino]pentanoate Openeye Name: benzyl 5-(3-benzyloxyanilino)-2-(benzyloxycarbonylamino)-5-oxo-pentanoate CAS Name: 5-oxo-5-(3-phenylmethoxyanilino)-2-(phenylmethoxycarbonylamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-oxo-5-(3-phenylmethoxyanilino)-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 5-(3-benzoxyanilino)-2-(benzyloxycarbonylamino)-5-keto-valeric acid benzyl ester Formula: C33H32N2O6 MolecularWeight: 552.61698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=O)CCC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=O)CCC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H32N2O6/c36-31(34-28-17-10-18-29(21-28)39-22-25-11-4-1-5-12-25)20-19-30(32(37)40-23-26-13-6-2-7-14-26)35-33(38)41-24-27-15-8-3-9-16-27/h1-18,21,30H,19-20,22-24H2,(H,34,36)(H,35,38)