(2-tert-butyl-4-methyl-phenyl) 4-[[4-chloranyl-1-cyclohexyl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoate

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) 4-[[4-chloranyl-1-cyclohexyl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoate Openeye Name: (2-tert-butyl-4-methyl-phenyl) 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 (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) 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 (2-tert-butyl-4-methyl-phenyl) ester Formula: C28H31ClN2O4 MolecularWeight: 495.00974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4CCCCC4)Cl)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4CCCCC4)Cl)C(C)(C)C

InChI

InChI=1S/C28H31ClN2O4/c1-17-10-15-22(21(16-17)28(2,3)4)35-27(34)18-11-13-19(14-12-18)30-24-23(29)25(32)31(26(24)33)20-8-6-5-7-9-20/h10-16,20,30H,5-9H2,1-4H3