tert-butyl 3-[2-(4-tert-butyl-2-cyano-piperidin-1-yl)ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-(4-tert-butyl-2-cyano-piperidin-1-yl)ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-(4-tert-butyl-2-cyano-1-piperidyl)ethyl]indole-1-carboxylate CAS Name: 3-[2-(4-tert-butyl-2-cyano-1-piperidinyl)ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(4-tert-butyl-2-cyanopiperidin-1-yl)ethyl]indole-1-carboxylate Traditional Name: 3-[2-(4-tert-butyl-2-cyano-piperidino)ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C25H35N3O2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCN(C(C1)C#N)CCC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1CCN(C(C1)C#N)CCC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H35N3O2/c1-24(2,3)19-12-14-27(20(15-19)16-26)13-11-18-17-28(23(29)30-25(4,5)6)22-10-8-7-9-21(18)22/h7-10,17,19-20H,11-15H2,1-6H3