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

Systemtic Name: 3-[2-(5-bromanyl-1-benzofuran-7-yl)ethanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenyl-piperidine-1-carboxylic acid Openeye Name: 3-[[2-(5-bromobenzofuran-7-yl)acetyl]-tert-butoxycarbonyl-amino]-2-phenyl-piperidine-1-carboxylic acid CAS Name: 3-[[2-(5-bromo-7-benzofuranyl)-1-oxoethyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenyl-1-piperidinecarboxylic acid IUPAC Name: 3-[[2-(5-bromo-1-benzofuran-7-yl)acetyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpiperidine-1-carboxylic acid Traditional Name: 3-[[2-(5-bromobenzofuran-7-yl)acetyl]-tert-butoxycarbonyl-amino]-2-phenyl-piperidine-1-carboxylic acid Formula: C27H29BrN2O6 MolecularWeight: 557.43296

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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)Br)C=CO4

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrN2O6/c1-27(2,3)36-26(34)30(22(31)16-19-15-20(28)14-18-11-13-35-24(18)19)21-10-7-12-29(25(32)33)23(21)17-8-5-4-6-9-17/h4-6,8-9,11,13-15,21,23H,7,10,12,16H2,1-3H3,(H,32,33)