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

Systemtic Name: 3-(4-ethoxyphenyl)carbonyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(4-ethoxybenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[(4-ethoxyphenyl)-oxomethyl]-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(4-ethoxybenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-(4-ethoxybenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C20H23NO4 MolecularWeight: 341.40092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCCCC3C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCCCC3C(=O)O)C

InChI

InChI=1S/C20H23NO4/c1-3-25-15-9-7-14(8-10-15)19(22)18-13(2)12-17-16(20(23)24)6-4-5-11-21(17)18/h7-10,12,16H,3-6,11H2,1-2H3,(H,23,24)