1-ethyl-4-phenyl-azepane-4-carboxylic acid

Systemtic Name: 1-ethyl-4-phenyl-azepane-4-carboxylic acid Openeye Name: 1-ethyl-4-phenyl-azepane-4-carboxylic acid CAS Name: 1-ethyl-4-phenyl-4-azepanecarboxylic acid IUPAC Name: 1-ethyl-4-phenylazepane-4-carboxylic acid Traditional Name: 1-ethyl-4-phenyl-azepane-4-carboxylic acid Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(CC1)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCN1CCCC(CC1)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H21NO2/c1-2-16-11-6-9-15(10-12-16,14(17)18)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,17,18)