3-methoxy-4-methyl-2-pyrrol-1-yl-benzoic acid

Systemtic Name: 3-methoxy-4-methyl-2-pyrrol-1-yl-benzoic acid Openeye Name: 3-methoxy-4-methyl-2-pyrrol-1-yl-benzoic acid CAS Name: 3-methoxy-4-methyl-2-(1-pyrrolyl)benzoic acid IUPAC Name: 3-methoxy-4-methyl-2-pyrrol-1-ylbenzoic acid Traditional Name: 3-methoxy-4-methyl-2-pyrrol-1-yl-benzoic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)O)N2C=CC=C2)OC

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)O)N2C=CC=C2)OC

InChI

InChI=1S/C13H13NO3/c1-9-5-6-10(13(15)16)11(12(9)17-2)14-7-3-4-8-14/h3-8H,1-2H3,(H,15,16)