[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-acetamido-3-methyl-benzoate

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-acetamido-3-methyl-benzoate Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [(1S)-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:

CC1=CC=CC(=C1NC(=O)C)C(=O)OC(C)C(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)O[C@@H](C)C(=O)N2CCCCCC2

InChI

InChI=1S/C19H26N2O4/c1-13-9-8-10-16(17(13)20-15(3)22)19(24)25-14(2)18(23)21-11-6-4-5-7-12-21/h8-10,14H,4-7,11-12H2,1-3H3,(H,20,22)/t14-/m0/s1