[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(2-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(2-methylphenyl)carbonylamino]ethanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-[(2-methylbenzoyl)amino]acetate CAS Name: 2-[[(2-methylphenyl)-oxomethyl]amino]acetic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(2-methylbenzoyl)amino]acetate Traditional Name: 2-(o-toluoylamino)acetic 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:

CC1=CC=CC=C1C(=O)NCC(=O)OC(C)C(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCC(=O)OC(C)C(=O)N2CCCCCC2

InChI

InChI=1S/C19H26N2O4/c1-14-9-5-6-10-16(14)18(23)20-13-17(22)25-15(2)19(24)21-11-7-3-4-8-12-21/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3,(H,20,23)