(4-phenylmethoxycarbonylphenyl) 4-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]benzoate

Systemtic Name: (4-phenylmethoxycarbonylphenyl) 4-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]benzoate Openeye Name: (4-benzyloxycarbonylphenyl) 4-[(4-chloro-2,5-dioxo-1-phenethyl-pyrrol-3-yl)amino]benzoate CAS Name: 4-[(4-chloro-2,5-dioxo-1-phenethyl-3-pyrrolyl)amino]benzoic acid (4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (4-phenylmethoxycarbonylphenyl) 4-[(4-chloro-2,5-dioxo-1-phenethylpyrrol-3-yl)amino]benzoate Traditional Name: 4-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]benzoic acid (4-carbobenzoxyphenyl) ester Formula: C33H25ClN2O6 MolecularWeight: 581.0144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H25ClN2O6/c34-28-29(31(38)36(30(28)37)20-19-22-7-3-1-4-8-22)35-26-15-11-25(12-16-26)33(40)42-27-17-13-24(14-18-27)32(39)41-21-23-9-5-2-6-10-23/h1-18,35H,19-21H2