2-methyl-3-(4-methylphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid

Systemtic Name: 2-methyl-3-(4-methylphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 2-methyl-3-(4-methylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 2-methyl-3-[(4-methylphenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 2-methyl-3-(4-methylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 2-methyl-3-p-toluoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCCCC3C(=O)O)C

InChI

InChI=1S/C19H21NO3/c1-12-6-8-14(9-7-12)18(21)17-13(2)11-16-15(19(22)23)5-3-4-10-20(16)17/h6-9,11,15H,3-5,10H2,1-2H3,(H,22,23)