5-chloranyl-2-[(E)-3-[4-methyl-2-(4-methylphenyl)carbonyl-pyrrol-1-yl]prop-1-enyl]benzoic acid

Systemtic Name: 5-chloranyl-2-[(E)-3-[4-methyl-2-(4-methylphenyl)carbonyl-pyrrol-1-yl]prop-1-enyl]benzoic acid Openeye Name: 5-chloro-2-[(E)-3-[4-methyl-2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]benzoic acid CAS Name: 5-chloro-2-[(E)-3-[4-methyl-2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]prop-1-enyl]benzoic acid IUPAC Name: 5-chloro-2-[(E)-3-[4-methyl-2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]benzoic acid Traditional Name: 5-chloro-2-[(E)-3-(4-methyl-2-p-toluoyl-pyrrol-1-yl)prop-1-enyl]benzoic acid Formula: C23H20ClNO3 MolecularWeight: 393.8628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC(=CN2CC=CC3=C(C=C(C=C3)Cl)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=CN2C/C=C/C3=C(C=C(C=C3)Cl)C(=O)O)C

InChI

InChI=1S/C23H20ClNO3/c1-15-5-7-18(8-6-15)22(26)21-12-16(2)14-25(21)11-3-4-17-9-10-19(24)13-20(17)23(27)28/h3-10,12-14H,11H2,1-2H3,(H,27,28)/b4-3+