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

Systemtic Name: 3-(4-methoxyphenyl)carbonyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(4-methoxybenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[(4-methoxyphenyl)-oxomethyl]-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(4-methoxybenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 2-methyl-3-p-anisoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H21NO4/c1-12-11-16-15(19(22)23)5-3-4-10-20(16)17(12)18(21)13-6-8-14(24-2)9-7-13/h6-9,11,15H,3-5,10H2,1-2H3,(H,22,23)