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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-benzamidobutanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-benzamidobutanoate CAS Name: 4-benzamidobutanoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-benzamidobutanoate Traditional Name: 4-benzamidobutyric acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)CCCNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)CCCNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H28N2O4/c1-16(20(25)22-14-7-2-3-8-15-22)26-18(23)12-9-13-21-19(24)17-10-5-4-6-11-17/h4-6,10-11,16H,2-3,7-9,12-15H2,1H3,(H,21,24)