5-chloranyl-2-[(E)-3-[2-(4-methoxyphenyl)carbonylpyrrol-1-yl]prop-1-enyl]benzoic acid

Systemtic Name: 5-chloranyl-2-[(E)-3-[2-(4-methoxyphenyl)carbonylpyrrol-1-yl]prop-1-enyl]benzoic acid Openeye Name: 5-chloro-2-[(E)-3-[2-(4-methoxybenzoyl)pyrrol-1-yl]prop-1-enyl]benzoic acid CAS Name: 5-chloro-2-[(E)-3-[2-[(4-methoxyphenyl)-oxomethyl]-1-pyrrolyl]prop-1-enyl]benzoic acid IUPAC Name: 5-chloro-2-[(E)-3-[2-(4-methoxybenzoyl)pyrrol-1-yl]prop-1-enyl]benzoic acid Traditional Name: 5-chloro-2-[(E)-3-(2-p-anisoylpyrrol-1-yl)prop-1-enyl]benzoic acid Formula: C22H18ClNO4 MolecularWeight: 395.83562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=CC=CN2CC=CC3=C(C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=CC=CN2C/C=C/C3=C(C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H18ClNO4/c1-28-18-10-7-16(8-11-18)21(25)20-5-3-13-24(20)12-2-4-15-6-9-17(23)14-19(15)22(26)27/h2-11,13-14H,12H2,1H3,(H,26,27)/b4-2+