dimethyl 4-[4-(3-methylbutanoylamino)phenoxy]benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[4-(3-methylbutanoylamino)phenoxy]benzene-1,2-dicarboxylate Openeye Name: dimethyl 4-[4-(3-methylbutanoylamino)phenoxy]benzene-1,2-dicarboxylate CAS Name: 4-[4-[(3-methyl-1-oxobutyl)amino]phenoxy]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[4-(3-methylbutanoylamino)phenoxy]benzene-1,2-dicarboxylate Traditional Name: 4-[4-(isovalerylamino)phenoxy]benzene-1,2-dicarboxylic acid dimethyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)OC2=CC(=C(C=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)OC2=CC(=C(C=C2)C(=O)OC)C(=O)OC

InChI

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