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

Systemtic Name: (3-propan-2-ylphenyl) 4-[[4-chloranyl-1-cyclohexyl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoate Openeye Name: (3-isopropylphenyl) 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 (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 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 m-cumenyl ester Formula: C26H27ClN2O4 MolecularWeight: 466.95658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4CCCCC4)Cl

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4CCCCC4)Cl

InChI

InChI=1S/C26H27ClN2O4/c1-16(2)18-7-6-10-21(15-18)33-26(32)17-11-13-19(14-12-17)28-23-22(27)24(30)29(25(23)31)20-8-4-3-5-9-20/h6-7,10-16,20,28H,3-5,8-9H2,1-2H3