[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4/c1-15-9-5-6-10-17(15)19(24)21-12-11-18(23)26-16(2)20(25)22-13-7-3-4-8-14-22/h5-6,9-10,16H,3-4,7-8,11-14H2,1-2H3,(H,21,24)