[3-[(E)-2-methyl-3-(4-tetradecoxyphenyl)prop-2-enoyl]oxy-2-oxidanyl-propyl] pyridine-3-carboxylate

Systemtic Name: [3-[(E)-2-methyl-3-(4-tetradecoxyphenyl)prop-2-enoyl]oxy-2-oxidanyl-propyl] pyridine-3-carboxylate Openeye Name: [2-hydroxy-3-[(E)-2-methyl-3-(4-tetradecoxyphenyl)prop-2-enoyl]oxy-propyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-hydroxy-3-[(E)-2-methyl-1-oxo-3-(4-tetradecoxyphenyl)prop-2-enoxy]propyl] ester IUPAC Name: [2-hydroxy-3-[(E)-2-methyl-3-(4-tetradecoxyphenyl)prop-2-enoyl]oxypropyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-hydroxy-3-[(E)-2-methyl-3-(4-myristyloxyphenyl)acryloyl]oxy-propyl] ester Formula: C33H47NO6 MolecularWeight: 553.72938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C=C(C)C(=O)OCC(COC(=O)C2=CN=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)/C=C(\C)/C(=O)OCC(COC(=O)C2=CN=CC=C2)O

InChI

InChI=1S/C33H47NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-38-31-19-17-28(18-20-31)23-27(2)32(36)39-25-30(35)26-40-33(37)29-16-15-21-34-24-29/h15-21,23-24,30,35H,3-14,22,25-26H2,1-2H3/b27-23+