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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-benzamidobutanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-benzamidobutanoate CAS Name: 4-benzamidobutanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-benzamidobutanoate Traditional Name: 4-benzamidobutyric acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H26N2O4 MolecularWeight: 346.42074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4/c22-17(21-13-6-1-2-7-14-21)15-25-18(23)11-8-12-20-19(24)16-9-4-3-5-10-16/h3-5,9-10H,1-2,6-8,11-15H2,(H,20,24)