[3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] benzoate

Systemtic Name: [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] benzoate Openeye Name: [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] benzoate CAS Name: benzoic acid [3-(3-ethyl-1-methyl-3-azepanyl)phenyl] ester IUPAC Name: [3-(3-ethyl-1-methylazepan-3-yl)phenyl] benzoate Traditional Name: benzoic acid [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] ester Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO2/c1-3-22(14-7-8-15-23(2)17-22)19-12-9-13-20(16-19)25-21(24)18-10-5-4-6-11-18/h4-6,9-13,16H,3,7-8,14-15,17H2,1-2H3