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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C19H21NO4/c1-12-11-15-13(19(22)23)7-5-6-10-20(15)17(12)18(21)14-8-3-4-9-16(14)24-2/h3-4,8-9,11,13H,5-7,10H2,1-2H3,(H,22,23)