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

Systemtic Name: 3-(2-propylphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(2-propylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[oxo-(2-propylphenyl)methyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(2-propylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-(2-propylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C20H23NO3 MolecularWeight: 325.40152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1C(=O)C2=CC=C3N2CCCCC3C(=O)O

Isomeric SMILES

CCCC1=CC=CC=C1C(=O)C2=CC=C3N2CCCCC3C(=O)O

InChI

InChI=1S/C20H23NO3/c1-2-7-14-8-3-4-9-15(14)19(22)18-12-11-17-16(20(23)24)10-5-6-13-21(17)18/h3-4,8-9,11-12,16H,2,5-7,10,13H2,1H3,(H,23,24)