O4-[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: 4-O-[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-(4-butyramidophenyl)-2-keto-ethyl] ester O1-methyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6/c1-3-4-19(24)22-17-11-9-14(10-12-17)18(23)13-28-21(26)16-7-5-15(6-8-16)20(25)27-2/h5-12H,3-4,13H2,1-2H3,(H,22,24)