[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H25NO6/c1-15(2)11-22(26)24-18-7-5-17(6-8-18)19(25)13-28-23(27)10-4-16-3-9-20-21(12-16)30-14-29-20/h3,5-9,12,15H,4,10-11,13-14H2,1-2H3,(H,24,26)