[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]acetic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]acetic acid [(1R)-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=C(C=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)N2CCCCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)O[C@H](C)C(=O)N2CCCCCC2)C

InChI

InChI=1S/C20H28N2O4/c1-14-8-9-17(12-15(14)2)19(24)21-13-18(23)26-16(3)20(25)22-10-6-4-5-7-11-22/h8-9,12,16H,4-7,10-11,13H2,1-3H3,(H,21,24)/t16-/m1/s1