tert-butyl 3-[[4-oxidanyl-1-(phenylmethyl)piperidin-3-yl]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-oxidanyl-1-(phenylmethyl)piperidin-3-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(1-benzyl-4-hydroxy-3-piperidyl)methyl]indole-1-carboxylate CAS Name: 3-[[4-hydroxy-1-(phenylmethyl)-3-piperidinyl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1-benzyl-4-hydroxypiperidin-3-yl)methyl]indole-1-carboxylate Traditional Name: 3-[(1-benzyl-4-hydroxy-3-piperidyl)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC3CN(CCC3O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC3CN(CCC3O)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N2O3/c1-26(2,3)31-25(30)28-18-20(22-11-7-8-12-23(22)28)15-21-17-27(14-13-24(21)29)16-19-9-5-4-6-10-19/h4-12,18,21,24,29H,13-17H2,1-3H3