4-[1-cyano-2-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-phenylphenyl)-3-pyrrolyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]vinyl]benzoic acid Formula: C28H22N2O2 MolecularWeight: 418.48648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C3=CC=CC=C3)C)C=C(C#N)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C3=CC=CC=C3)C)C=C(C#N)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C28H22N2O2/c1-19-16-25(17-26(18-29)23-8-10-24(11-9-23)28(31)32)20(2)30(19)27-14-12-22(13-15-27)21-6-4-3-5-7-21/h3-17H,1-2H3,(H,31,32)