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

Systemtic Name: 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-1-yl]benzoic acid CAS Name: 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-1-yl]benzoic acid Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C21H19NO5/c1-27-18-10-4-14(5-11-18)19-12-8-17(9-13-20(23)24)22(19)16-6-2-15(3-7-16)21(25)26/h2-8,10-12H,9,13H2,1H3,(H,23,24)(H,25,26)