[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CCCC1=CNC2=CC=CC=C21)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CCCC1=CNC2=CC=CC=C21)C3(CCCCC3)C#N

InChI

InChI=1S/C22H27N3O3/c1-25(22(16-23)12-5-2-6-13-22)20(26)15-28-21(27)11-7-8-17-14-24-19-10-4-3-9-18(17)19/h3-4,9-10,14,24H,2,5-8,11-13,15H2,1H3