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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(3,4-dichlorophenyl)carbonylamino]ethanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate CAS Name: 2-[[(3,4-dichlorophenyl)-oxomethyl]amino]acetic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate Traditional Name: 2-[(3,4-dichlorobenzoyl)amino]acetic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H22Cl2N2O4 MolecularWeight: 401.28428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22Cl2N2O4/c1-12(18(25)22-8-4-2-3-5-9-22)26-16(23)11-21-17(24)13-6-7-14(19)15(20)10-13/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,21,24)