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

Systemtic Name: 5-chloranyl-2-[(E)-3-[4-methanoyl-2-(4-methylphenyl)carbonyl-pyrrol-1-yl]prop-1-enyl]benzoic acid Openeye Name: 5-chloro-2-[(E)-3-[4-formyl-2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]benzoic acid CAS Name: 5-chloro-2-[(E)-3-[4-formyl-2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]prop-1-enyl]benzoic acid IUPAC Name: 5-chloro-2-[(E)-3-[4-formyl-2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]benzoic acid Traditional Name: 5-chloro-2-[(E)-3-(4-formyl-2-p-toluoyl-pyrrol-1-yl)prop-1-enyl]benzoic acid Formula: C23H18ClNO4 MolecularWeight: 407.84632

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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=O

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=O

InChI

InChI=1S/C23H18ClNO4/c1-15-4-6-18(7-5-15)22(27)21-11-16(14-26)13-25(21)10-2-3-17-8-9-19(24)12-20(17)23(28)29/h2-9,11-14H,10H2,1H3,(H,28,29)/b3-2+