[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-benzamido-3-methyl-butanoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-benzamido-3-methyl-butanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4/c1-15(2)18(22-19(24)17-11-7-6-8-12-17)21(26)27-16(3)20(25)23-13-9-4-5-10-14-23/h6-8,11-12,15-16,18H,4-5,9-10,13-14H2,1-3H3,(H,22,24)