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

Systemtic Name: (2-tert-butylphenyl) 4-[[4-chloranyl-1-cyclohexyl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoate Openeye Name: (2-tert-butylphenyl) 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-butylphenyl) ester IUPAC Name: (2-tert-butylphenyl) 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-butylphenyl) ester Formula: C27H29ClN2O4 MolecularWeight: 480.98316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4CCCCC4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4CCCCC4)Cl

InChI

InChI=1S/C27H29ClN2O4/c1-27(2,3)20-11-7-8-12-21(20)34-26(33)17-13-15-18(16-14-17)29-23-22(28)24(31)30(25(23)32)19-9-5-4-6-10-19/h7-8,11-16,19,29H,4-6,9-10H2,1-3H3