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

Systemtic Name: (4-tert-butylphenyl) 4-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]benzoate Openeye Name: (4-tert-butylphenyl) 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-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 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-tert-butylphenyl) ester Formula: C29H27ClN2O4 MolecularWeight: 502.98868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C29H27ClN2O4/c1-29(2,3)21-11-15-23(16-12-21)36-28(35)20-9-13-22(14-10-20)31-25-24(30)26(33)32(27(25)34)18-17-19-7-5-4-6-8-19/h4-16,31H,17-18H2,1-3H3