[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-4-5-20(24)22-16-8-6-14(7-9-16)19(23)13-28-21(25)15-10-17(26-2)12-18(11-15)27-3/h6-12H,4-5,13H2,1-3H3,(H,22,24)