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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCCCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCCCCC2)C

InChI

InChI=1S/C19H26N2O4/c1-14-7-8-16(11-15(14)2)19(24)20-12-18(23)25-13-17(22)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,20,24)