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

Systemtic Name: (4-phenylmethoxycarbonylphenyl) 4-[[4-chloranyl-1-cyclohexyl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoate Openeye Name: (4-benzyloxycarbonylphenyl) 4-[(4-chloro-1-cyclohexyl-2,5-dioxo-pyrrol-3-yl)amino]benzoate CAS Name: 4-[(4-chloro-1-cyclohexyl-2,5-dioxo-3-pyrrolyl)amino]benzoic acid (4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (4-phenylmethoxycarbonylphenyl) 4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]benzoate Traditional Name: 4-[(4-chloro-1-cyclohexyl-2,5-diketo-3-pyrrolin-3-yl)amino]benzoic acid (4-carbobenzoxyphenyl) ester Formula: C31H27ClN2O6 MolecularWeight: 559.00888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=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

C1CCC(CC1)N2C(=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/C31H27ClN2O6/c32-26-27(29(36)34(28(26)35)24-9-5-2-6-10-24)33-23-15-11-22(12-16-23)31(38)40-25-17-13-21(14-18-25)30(37)39-19-20-7-3-1-4-8-20/h1,3-4,7-8,11-18,24,33H,2,5-6,9-10,19H2