4-[[4-methoxycarbonyl-5-methyl-1-[(4-methylphenyl)methyl]-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid

Systemtic Name: 4-[[4-methoxycarbonyl-5-methyl-1-[(4-methylphenyl)methyl]-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid Openeye Name: 4-[[4-methoxycarbonyl-5-methyl-2-oxo-1-(p-tolylmethyl)pyrrol-3-ylidene]methyl]benzoic acid CAS Name: 4-[[4-methoxycarbonyl-5-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3-pyrrolylidene]methyl]benzoic acid IUPAC Name: 4-[[4-methoxycarbonyl-5-methyl-1-[(4-methylphenyl)methyl]-2-oxopyrrol-3-ylidene]methyl]benzoic acid Traditional Name: 4-[[4-carbomethoxy-2-keto-5-methyl-1-(4-methylbenzyl)-2-pyrrolin-3-ylidene]methyl]benzoic acid Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=CC3=CC=C(C=C3)C(=O)O)C2=O)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=CC3=CC=C(C=C3)C(=O)O)C2=O)C(=O)OC)C

InChI

InChI=1S/C23H21NO5/c1-14-4-6-17(7-5-14)13-24-15(2)20(23(28)29-3)19(21(24)25)12-16-8-10-18(11-9-16)22(26)27/h4-12H,13H2,1-3H3,(H,26,27)