(E)-octadec-6-enoic acid; pyridine-3-carboxamide

Systemtic Name: (E)-octadec-6-enoic acid; pyridine-3-carboxamide Openeye Name: (E)-octadec-6-enoic acid; pyridine-3-carboxamide CAS Name: (E)-6-octadecenoic acid; 3-pyridinecarboxamide IUPAC Name: (E)-octadec-6-enoic acid; pyridine-3-carboxamide Traditional Name: nicotinamide; (E)-octadec-6-enoic acid Formula: C24H40N2O3 MolecularWeight: 404.586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CCCCCC(=O)O.C1=CC(=CN=C1)C(=O)N

Isomeric SMILES

CCCCCCCCCCC/C=C/CCCCC(=O)O.C1=CC(=CN=C1)C(=O)N

InChI

InChI=1S/C18H34O2.C6H6N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-6(9)5-2-1-3-8-4-5/h12-13H,2-11,14-17H2,1H3,(H,19,20);1-4H,(H2,7,9)/b13-12+;