[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C(=C2)Cl)OC)OC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C(=C2)Cl)OC)OC

InChI

InChI=1S/C21H22ClNO6/c1-4-5-19(25)23-15-8-6-13(7-9-15)17(24)12-29-21(26)14-10-16(22)20(28-3)18(11-14)27-2/h6-11H,4-5,12H2,1-3H3,(H,23,25)