[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-phenylbenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-phenylbenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO3/c23-20(22-14-6-1-2-7-15-22)16-25-21(24)19-12-10-18(11-13-19)17-8-4-3-5-9-17/h3-5,8-13H,1-2,6-7,14-16H2