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

Systemtic Name: 3-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-1-yl]benzoic acid CAS Name: 3-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-1-yl]benzoic acid Traditional Name: 3-[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=CC(=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

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

InChI

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