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

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7/c1-13(2)21(25)23-15-8-6-14(7-9-15)17(24)12-30-22(26)16-10-11-18(27-3)20(29-5)19(16)28-4/h6-11,13H,12H2,1-5H3,(H,23,25)