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

Systemtic Name: 2-ethyl-3-(phenylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-benzoyl-2-ethyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-benzoyl-2-ethyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-benzoyl-2-ethyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-benzoyl-2-ethyl-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:

CCC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21NO3/c1-2-13-12-16-15(19(22)23)10-6-7-11-20(16)17(13)18(21)14-8-4-3-5-9-14/h3-5,8-9,12,15H,2,6-7,10-11H2,1H3,(H,22,23)