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

Systemtic Name: 3-methyl-4-pyrrol-1-yl-benzoic acid Openeye Name: 3-methyl-4-pyrrol-1-yl-benzoic acid CAS Name: 3-methyl-4-(1-pyrrolyl)benzoic acid IUPAC Name: 3-methyl-4-pyrrol-1-ylbenzoic acid Traditional Name: 3-methyl-4-pyrrol-1-yl-benzoic acid Formula: C12H11NO2 MolecularWeight: 201.22124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO2/c1-9-8-10(12(14)15)4-5-11(9)13-6-2-3-7-13/h2-8H,1H3,(H,14,15)