3-[(2-methylpropan-2-yl)oxycarbonyl-[2-(5-pyrimidin-5-yl-1-benzofuran-7-yl)ethanoyl]amino]-2-phenyl-piperidine-1-carboxylic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl-[2-(5-pyrimidin-5-yl-1-benzofuran-7-yl)ethanoyl]amino]-2-phenyl-piperidine-1-carboxylic acid Openeye Name: 3-[tert-butoxycarbonyl-[2-(5-pyrimidin-5-ylbenzofuran-7-yl)acetyl]amino]-2-phenyl-piperidine-1-carboxylic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[1-oxo-2-[5-(5-pyrimidinyl)-7-benzofuranyl]ethyl]amino]-2-phenyl-1-piperidinecarboxylic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonyl-[2-(5-pyrimidin-5-yl-1-benzofuran-7-yl)acetyl]amino]-2-phenylpiperidine-1-carboxylic acid Traditional Name: 3-[tert-butoxycarbonyl-[2-[5-(5-pyrimidyl)benzofuran-7-yl]acetyl]amino]-2-phenyl-piperidine-1-carboxylic acid Formula: C31H32N4O6 MolecularWeight: 556.60898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1CCCN(C1C2=CC=CC=C2)C(=O)O)C(=O)CC3=C4C(=CC(=C3)C5=CN=CN=C5)C=CO4

Isomeric SMILES

CC(C)(C)OC(=O)N(C1CCCN(C1C2=CC=CC=C2)C(=O)O)C(=O)CC3=C4C(=CC(=C3)C5=CN=CN=C5)C=CO4

InChI

InChI=1S/C31H32N4O6/c1-31(2,3)41-30(39)35(25-10-7-12-34(29(37)38)27(25)20-8-5-4-6-9-20)26(36)16-23-15-22(24-17-32-19-33-18-24)14-21-11-13-40-28(21)23/h4-6,8-9,11,13-15,17-19,25,27H,7,10,12,16H2,1-3H3,(H,37,38)