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

Systemtic Name: tert-butyl 3-[3-aminocarbonyl-2-azanyl-6-(2-phenylmethoxyphenyl)pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[2-amino-6-(2-benzyloxyphenyl)-3-carbamoyl-4-pyridyl]piperidine-1-carboxylate CAS Name: 3-[2-amino-3-carbamoyl-6-(2-phenylmethoxyphenyl)-4-pyridinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-amino-3-carbamoyl-6-(2-phenylmethoxyphenyl)pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[2-amino-6-(2-benzoxyphenyl)-3-carbamoyl-4-pyridyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H34N4O4 MolecularWeight: 502.60466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC(=C2C(=O)N)N)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC(=C2C(=O)N)N)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C29H34N4O4/c1-29(2,3)37-28(35)33-15-9-12-20(17-33)22-16-23(32-26(30)25(22)27(31)34)21-13-7-8-14-24(21)36-18-19-10-5-4-6-11-19/h4-8,10-11,13-14,16,20H,9,12,15,17-18H2,1-3H3,(H2,30,32)(H2,31,34)