2-[2-methoxycarbonyl-6-(2-methylpropylcarbamoyl)pyridin-3-yl]-5-phenylmethoxy-benzoic acid

Systemtic Name: 2-[2-methoxycarbonyl-6-(2-methylpropylcarbamoyl)pyridin-3-yl]-5-phenylmethoxy-benzoic acid Openeye Name: 5-benzyloxy-2-[6-(isobutylcarbamoyl)-2-methoxycarbonyl-3-pyridyl]benzoic acid CAS Name: 2-[2-methoxycarbonyl-6-[(2-methylpropylamino)-oxomethyl]-3-pyridinyl]-5-phenylmethoxybenzoic acid IUPAC Name: 2-[2-methoxycarbonyl-6-(2-methylpropylcarbamoyl)pyridin-3-yl]-5-phenylmethoxybenzoic acid Traditional Name: 5-benzoxy-2-[2-carbomethoxy-6-(isobutylcarbamoyl)-3-pyridyl]benzoic acid Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=NC(=C(C=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C(=O)OC

Isomeric SMILES

CC(C)CNC(=O)C1=NC(=C(C=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C(=O)OC

InChI

InChI=1S/C26H26N2O6/c1-16(2)14-27-24(29)22-12-11-20(23(28-22)26(32)33-3)19-10-9-18(13-21(19)25(30)31)34-15-17-7-5-4-6-8-17/h4-13,16H,14-15H2,1-3H3,(H,27,29)(H,30,31)