tert-butyl 4-[[(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)carbamoyl-(pyridin-3-ylmethyl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)carbamoyl-(pyridin-3-ylmethyl)amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)carbamoyl-(3-pyridylmethyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[(3-tert-butyl-2-hydroxy-5-methoxyanilino)-oxomethyl]-(3-pyridinylmethyl)amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)carbamoyl-(pyridin-3-ylmethyl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)carbamoyl-(3-pyridylmethyl)amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H42N4O5 MolecularWeight: 526.66758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(CC2CCN(CC2)C(=O)OC(C)(C)C)CC3=CN=CC=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(CC2CCN(CC2)C(=O)OC(C)(C)C)CC3=CN=CC=C3)OC

InChI

InChI=1S/C29H42N4O5/c1-28(2,3)23-15-22(37-7)16-24(25(23)34)31-26(35)33(19-21-9-8-12-30-17-21)18-20-10-13-32(14-11-20)27(36)38-29(4,5)6/h8-9,12,15-17,20,34H,10-11,13-14,18-19H2,1-7H3,(H,31,35)