[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylindole-3-carboxylate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylindole-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H23N3O3 MolecularWeight: 353.41492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CN(C3=CC=CC=C32)C

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CN(C3=CC=CC=C32)C

InChI

InChI=1S/C20H23N3O3/c1-14(18(24)22-20(13-21)10-6-3-7-11-20)26-19(25)16-12-23(2)17-9-5-4-8-15(16)17/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,22,24)