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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC=C(C=C2)C(=O)O)/C(=O)N1CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H21NO5/c1-15-20(23(28)29-2)19(14-17-8-10-18(11-9-17)22(26)27)21(25)24(15)13-12-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,26,27)/b19-14-