ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; nonanedioic acid

Systemtic Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; nonanedioic acid Openeye Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; nonanedioic acid CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-(1-oxododecylamino)propanoic acid ethyl ester; nonanedioic acid IUPAC Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; nonanedioic acid Traditional Name: azelaic acid; (2S)-3-(1H-imidazol-5-yl)-2-(lauroylamino)propionic acid ethyl ester Formula: C29H51N3O7 MolecularWeight: 553.73114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O3.C9H16O4/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;10-8(11)6-4-2-1-3-5-7-9(12)13/h15-16,18H,3-14H2,1-2H3,(H,21,22)(H,23,24);1-7H2,(H,10,11)(H,12,13)/t18-;/m0./s1