4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-benzoic acid

Systemtic Name: 4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-benzoic acid Openeye Name: 4-(2,5-dihydropyrrole-1-carbonyl)-3-methyl-benzoic acid CAS Name: 4-[2,5-dihydropyrrol-1-yl(oxo)methyl]-3-methylbenzoic acid IUPAC Name: 4-(2,5-dihydropyrrole-1-carbonyl)-3-methylbenzoic acid Traditional Name: 3-methyl-4-(3-pyrroline-1-carbonyl)benzoic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C(=O)N2CC=CC2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C(=O)N2CC=CC2

InChI

InChI=1S/C13H13NO3/c1-9-8-10(13(16)17)4-5-11(9)12(15)14-6-2-3-7-14/h2-5,8H,6-7H2,1H3,(H,16,17)