[2,3-dimethoxy-6-methyl-4-oxidanyl-5-(10-oxidanyldecyl)phenyl] pyridine-3-carboxylate hydrochloride

Systemtic Name: [2,3-dimethoxy-6-methyl-4-oxidanyl-5-(10-oxidanyldecyl)phenyl] pyridine-3-carboxylate hydrochloride Openeye Name: [4-hydroxy-5-(10-hydroxydecyl)-2,3-dimethoxy-6-methyl-phenyl] pyridine-3-carboxylate hydrochloride CAS Name: 3-pyridinecarboxylic acid [4-hydroxy-5-(10-hydroxydecyl)-2,3-dimethoxy-6-methylphenyl] ester hydrochloride IUPAC Name: [4-hydroxy-5-(10-hydroxydecyl)-2,3-dimethoxy-6-methylphenyl] pyridine-3-carboxylate hydrochloride Traditional Name: nicotinic acid [4-hydroxy-5-(10-hydroxydecyl)-2,3-dimethoxy-6-methyl-phenyl] ester hydrochloride Formula: C25H36ClNO6 MolecularWeight: 482.00944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC(=O)C2=CN=CC=C2)OC)OC)O)CCCCCCCCCCO.Cl

Isomeric SMILES

CC1=C(C(=C(C(=C1OC(=O)C2=CN=CC=C2)OC)OC)O)CCCCCCCCCCO.Cl

InChI

InChI=1S/C25H35NO6.ClH/c1-18-20(14-10-8-6-4-5-7-9-11-16-27)21(28)23(30-2)24(31-3)22(18)32-25(29)19-13-12-15-26-17-19;/h12-13,15,17,27-28H,4-11,14,16H2,1-3H3;1H