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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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