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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CCC1=CNC2=CC=CC=C21)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CCC1=CNC2=CC=CC=C21)C3(CCCCC3)C#N

InChI

InChI=1S/C21H25N3O3/c1-24(21(15-22)11-5-2-6-12-21)19(25)14-27-20(26)10-9-16-13-23-18-8-4-3-7-17(16)18/h3-4,7-8,13,23H,2,5-6,9-12,14H2,1H3