[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C18H23ClN2O4 MolecularWeight: 366.83922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)CN2CCCCCC2=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)CN2CCCCCC2=O)C

InChI

InChI=1S/C18H23ClN2O4/c1-12-8-13(2)18(14(19)9-12)20-15(22)11-25-17(24)10-21-7-5-3-4-6-16(21)23/h8-9H,3-7,10-11H2,1-2H3,(H,20,22)