2-(1H-indol-3-yl)ethyl 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate

Systemtic Name: 2-(1H-indol-3-yl)ethyl 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate Openeye Name: 2-(1H-indol-3-yl)ethyl 1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid 2-(1H-indol-3-yl)ethyl ester IUPAC Name: 2-(1H-indol-3-yl)ethyl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid 2-(1H-indol-3-yl)ethyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C23H30N2O4/c1-4-23(2,3)20(26)21(27)25-13-8-7-11-19(25)22(28)29-14-12-16-15-24-18-10-6-5-9-17(16)18/h5-6,9-10,15,19,24H,4,7-8,11-14H2,1-3H3