tert-butyl 2-[[(2R,4R,5R)-2-cyano-5-ethyl-1-(phenylmethyl)piperidin-4-yl]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-[[(2R,4R,5R)-2-cyano-5-ethyl-1-(phenylmethyl)piperidin-4-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 2-[[(2R,4R,5R)-1-benzyl-2-cyano-5-ethyl-4-piperidyl]methyl]indole-1-carboxylate CAS Name: 2-[[(2R,4R,5R)-2-cyano-5-ethyl-1-(phenylmethyl)-4-piperidinyl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2R,4R,5R)-1-benzyl-2-cyano-5-ethylpiperidin-4-yl]methyl]indole-1-carboxylate Traditional Name: 2-[[(2R,4R,5R)-1-benzyl-2-cyano-5-ethyl-4-piperidyl]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C29H35N3O2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C(CC1CC2=CC3=CC=CC=C3N2C(=O)OC(C)(C)C)C#N)CC4=CC=CC=C4

Isomeric SMILES

CC[C@H]1CN([C@H](C[C@@H]1CC2=CC3=CC=CC=C3N2C(=O)OC(C)(C)C)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O2/c1-5-22-20-31(19-21-11-7-6-8-12-21)26(18-30)17-24(22)16-25-15-23-13-9-10-14-27(23)32(25)28(33)34-29(2,3)4/h6-15,22,24,26H,5,16-17,19-20H2,1-4H3/t22-,24-,26+/m0/s1