[2-methoxy-4-(3-oxidanylbutyl)phenyl] pyridine-3-carboxylate

Systemtic Name: [2-methoxy-4-(3-oxidanylbutyl)phenyl] pyridine-3-carboxylate Openeye Name: [4-(3-hydroxybutyl)-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-(3-hydroxybutyl)-2-methoxyphenyl] ester IUPAC Name: [4-(3-hydroxybutyl)-2-methoxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-(3-hydroxybutyl)-2-methoxy-phenyl] ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=C(C=C1)OC(=O)C2=CN=CC=C2)OC)O

Isomeric SMILES

CC(CCC1=CC(=C(C=C1)OC(=O)C2=CN=CC=C2)OC)O

InChI

InChI=1S/C17H19NO4/c1-12(19)5-6-13-7-8-15(16(10-13)21-2)22-17(20)14-4-3-9-18-11-14/h3-4,7-12,19H,5-6H2,1-2H3