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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-acetamidobenzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-13(17(22)20-11-5-3-4-6-12-20)24-18(23)15-7-9-16(10-8-15)19-14(2)21/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,21)