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

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

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

Isomeric SMILES

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

InChI

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