3-[2-(4-bromophenyl)-5-(2-carboxyethyl)pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-(4-bromophenyl)-5-(2-carboxyethyl)pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-(4-bromophenyl)-5-(2-carboxyethyl)pyrrol-1-yl]benzoic acid CAS Name: 3-[2-(4-bromophenyl)-5-(2-carboxyethyl)-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-(4-bromophenyl)-5-(2-carboxyethyl)pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-(4-bromophenyl)-5-(2-carboxyethyl)pyrrol-1-yl]benzoic acid Formula: C20H16BrNO4 MolecularWeight: 414.24934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H16BrNO4/c21-15-6-4-13(5-7-15)18-10-8-16(9-11-19(23)24)22(18)17-3-1-2-14(12-17)20(25)26/h1-8,10,12H,9,11H2,(H,23,24)(H,25,26)