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

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-13(2)20(24)22-16-8-5-14(6-9-16)17(23)12-28-21(25)15-7-10-18(26-3)19(11-15)27-4/h5-11,13H,12H2,1-4H3,(H,22,24)