2-[4-[(2,6-diethyl-3-methoxycarbonyl-pyridin-4-yl)oxymethyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2,6-diethyl-3-methoxycarbonyl-pyridin-4-yl)oxymethyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2,6-diethyl-3-methoxycarbonyl-4-pyridyl)oxymethyl]phenyl]benzoic acid CAS Name: 2-[4-[(2,6-diethyl-3-methoxycarbonyl-4-pyridinyl)oxymethyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2,6-diethyl-3-methoxycarbonylpyridin-4-yl)oxymethyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-carbomethoxy-2,6-diethyl-4-pyridyl)oxymethyl]phenyl]benzoic acid Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=C1)OCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OC)CC

Isomeric SMILES

CCC1=NC(=C(C(=C1)OCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OC)CC

InChI

InChI=1S/C25H25NO5/c1-4-18-14-22(23(25(29)30-3)21(5-2)26-18)31-15-16-10-12-17(13-11-16)19-8-6-7-9-20(19)24(27)28/h6-14H,4-5,15H2,1-3H3,(H,27,28)