[4-[2-(tert-butylamino)ethanoyl]-2-[(E)-octadec-9-enoyl]oxy-phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[2-(tert-butylamino)ethanoyl]-2-[(E)-octadec-9-enoyl]oxy-phenyl] pyridine-3-carboxylate Openeye Name: [4-[2-(tert-butylamino)acetyl]-2-[(E)-octadec-9-enoyl]oxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[2-(tert-butylamino)-1-oxoethyl]-2-[(E)-1-oxooctadec-9-enoxy]phenyl] ester IUPAC Name: [4-[2-(tert-butylamino)acetyl]-2-[(E)-octadec-9-enoyl]oxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[2-(tert-butylamino)acetyl]-2-[(E)-octadec-9-enoyl]oxy-phenyl] ester Formula: C36H52N2O5 MolecularWeight: 592.80848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1=C(C=CC(=C1)C(=O)CNC(C)(C)C)OC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1=C(C=CC(=C1)C(=O)CNC(C)(C)C)OC(=O)C2=CN=CC=C2

InChI

InChI=1S/C36H52N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34(40)42-33-26-29(31(39)28-38-36(2,3)4)23-24-32(33)43-35(41)30-21-20-25-37-27-30/h12-13,20-21,23-27,38H,5-11,14-19,22,28H2,1-4H3/b13-12+