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

Systemtic Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-indol-3-yl)propanoate; nonanedioic acid Openeye Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-indol-3-yl)propanoate; nonanedioic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-(1-oxododecylamino)propanoic acid ethyl ester; nonanedioic acid IUPAC Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-indol-3-yl)propanoate; nonanedioic acid Traditional Name: azelaic acid; (2S)-3-(1H-indol-3-yl)-2-(lauroylamino)propionic acid ethyl ester Formula: C34H54N2O7 MolecularWeight: 602.80176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC.C(CCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC.C(CCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C25H38N2O3.C9H16O4/c1-3-5-6-7-8-9-10-11-12-17-24(28)27-23(25(29)30-4-2)18-20-19-26-22-16-14-13-15-21(20)22;10-8(11)6-4-2-1-3-5-7-9(12)13/h13-16,19,23,26H,3-12,17-18H2,1-2H3,(H,27,28);1-7H2,(H,10,11)(H,12,13)/t23-;/m0./s1