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

Systemtic Name: (4-propylphenyl) 4-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]benzoate Openeye Name: (4-propylphenyl) 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-propylphenyl) ester IUPAC Name: (4-propylphenyl) 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-propylphenyl) ester Formula: C28H25ClN2O4 MolecularWeight: 488.9621

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC1=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/C28H25ClN2O4/c1-2-6-19-9-15-23(16-10-19)35-28(34)21-11-13-22(14-12-21)30-25-24(29)26(32)31(27(25)33)18-17-20-7-4-3-5-8-20/h3-5,7-16,30H,2,6,17-18H2,1H3