ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; (E)-octadec-9-enoic acid

Systemtic Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; (E)-octadec-9-enoic acid Openeye Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; (E)-octadec-9-enoic acid CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-(1-oxododecylamino)propanoic acid ethyl ester; (E)-9-octadecenoic acid IUPAC Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; (2S)-3-(1H-imidazol-5-yl)-2-(lauroylamino)propionic acid ethyl ester Formula: C38H69N3O5 MolecularWeight: 647.97156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC1=CN=CN1)C(=O)OCC.CCCCCCCCC=CCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)OCC.CCCCCCCC/C=C/CCCCCCCC(=O)O

InChI

InChI=1S/C20H35N3O3.C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-19(24)23-18(20(25)26-4-2)14-17-15-21-16-22-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h15-16,18H,3-14H2,1-2H3,(H,21,22)(H,23,24);9-10H,2-8,11-17H2,1H3,(H,19,20)/b;10-9+/t18-;/m0./s1