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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H28N2O3/c24-20(23-13-6-2-1-3-7-14-23)16-26-21(25)12-8-9-17-15-22-19-11-5-4-10-18(17)19/h4-5,10-11,15,22H,1-3,6-9,12-14,16H2