O1-methyl O4-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester O1-methyl ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6/c1-14(2)12-20(25)23-18-10-8-15(9-11-18)19(24)13-29-22(27)17-6-4-16(5-7-17)21(26)28-3/h4-11,14H,12-13H2,1-3H3,(H,23,25)