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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(acetamidomethyl)benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-(acetamidomethyl)benzoate CAS Name: 4-(acetamidomethyl)benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate Traditional Name: 4-(acetamidomethyl)benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4/c1-14(18(23)21-11-5-3-4-6-12-21)25-19(24)17-9-7-16(8-10-17)13-20-15(2)22/h7-10,14H,3-6,11-13H2,1-2H3,(H,20,22)