tert-butyl 2-azanyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl]-6-(2-phenylmethoxyphenyl)pyridine-3-carboxylate

Systemtic Name: tert-butyl 2-azanyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl]-6-(2-phenylmethoxyphenyl)pyridine-3-carboxylate Openeye Name: tert-butyl 2-amino-6-(2-benzyloxyphenyl)-4-[1-(tert-butoxycarbonylamino)-2-phenyl-ethyl]pyridine-3-carboxylate CAS Name: 2-amino-4-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenylethyl]-6-(2-phenylmethoxyphenyl)-3-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-6-(2-phenylmethoxyphenyl)pyridine-3-carboxylate Traditional Name: 2-amino-6-(2-benzoxyphenyl)-4-[1-(tert-butoxycarbonylamino)-2-phenyl-ethyl]nicotinic acid tert-butyl ester Formula: C36H41N3O5 MolecularWeight: 595.72784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=C(C=C1C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C3=CC=CC=C3OCC4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=C(C=C1C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C3=CC=CC=C3OCC4=CC=CC=C4)N

InChI

InChI=1S/C36H41N3O5/c1-35(2,3)43-33(40)31-27(28(21-24-15-9-7-10-16-24)39-34(41)44-36(4,5)6)22-29(38-32(31)37)26-19-13-14-20-30(26)42-23-25-17-11-8-12-18-25/h7-20,22,28H,21,23H2,1-6H3,(H2,37,38)(H,39,41)