[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C25H28N2O4/c1-17(2)14-24(29)27-20-12-10-18(11-13-20)23(28)16-31-25(30)9-5-6-19-15-26-22-8-4-3-7-21(19)22/h3-4,7-8,10-13,15,17,26H,5-6,9,14,16H2,1-2H3,(H,27,29)