tert-butyl 3-[2-(2-cyanopiperidin-1-yl)ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-(2-cyanopiperidin-1-yl)ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-(2-cyano-1-piperidyl)ethyl]indole-1-carboxylate CAS Name: 3-[2-(2-cyano-1-piperidinyl)ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(2-cyanopiperidin-1-yl)ethyl]indole-1-carboxylate Traditional Name: 3-[2-(2-cyanopiperidino)ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CCN3CCCCC3C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CCN3CCCCC3C#N

InChI

InChI=1S/C21H27N3O2/c1-21(2,3)26-20(25)24-15-16(18-9-4-5-10-19(18)24)11-13-23-12-7-6-8-17(23)14-22/h4-5,9-10,15,17H,6-8,11-13H2,1-3H3