tert-butyl 3-[2-azanyl-3-(hydroxymethyl)-6-(2-phenylmethoxyphenyl)pyridin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-azanyl-3-(hydroxymethyl)-6-(2-phenylmethoxyphenyl)pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[2-amino-6-(2-benzyloxyphenyl)-3-(hydroxymethyl)-4-pyridyl]piperidine-1-carboxylate CAS Name: 3-[2-amino-3-(hydroxymethyl)-6-(2-phenylmethoxyphenyl)-4-pyridinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-amino-3-(hydroxymethyl)-6-(2-phenylmethoxyphenyl)pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[2-amino-6-(2-benzoxyphenyl)-3-methylol-4-pyridyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC(=C2CO)N)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC(=C2CO)N)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O4/c1-29(2,3)36-28(34)32-15-9-12-21(17-32)23-16-25(31-27(30)24(23)18-33)22-13-7-8-14-26(22)35-19-20-10-5-4-6-11-20/h4-8,10-11,13-14,16,21,33H,9,12,15,17-19H2,1-3H3,(H2,30,31)