5-heptoxycarbonyl-3-phenylmethoxy-pyridine-2-carboxylic acid

Systemtic Name: 5-heptoxycarbonyl-3-phenylmethoxy-pyridine-2-carboxylic acid Openeye Name: 3-benzyloxy-5-heptoxycarbonyl-pyridine-2-carboxylic acid CAS Name: 5-[heptoxy(oxo)methyl]-3-phenylmethoxy-2-pyridinecarboxylic acid IUPAC Name: 5-heptoxycarbonyl-3-phenylmethoxypyridine-2-carboxylic acid Traditional Name: 3-benzoxy-5-heptoxycarbonyl-picolinic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC(=C(N=C1)C(=O)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC(=O)C1=CC(=C(N=C1)C(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5/c1-2-3-4-5-9-12-26-21(25)17-13-18(19(20(23)24)22-14-17)27-15-16-10-7-6-8-11-16/h6-8,10-11,13-14H,2-5,9,12,15H2,1H3,(H,23,24)