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

Systemtic Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-indol-3-yl)propanoate; (E)-octadec-9-enoic acid Openeye Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-indol-3-yl)propanoate; (E)-octadec-9-enoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-(1-oxododecylamino)propanoic acid ethyl ester; (E)-9-octadecenoic acid IUPAC Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-indol-3-yl)propanoate; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; (2S)-3-(1H-indol-3-yl)-2-(lauroylamino)propionic acid ethyl ester Formula: C43H72N2O5 MolecularWeight: 697.04218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O3.C18H34O2/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;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-16,19,23,26H,3-12,17-18H2,1-2H3,(H,27,28);9-10H,2-8,11-17H2,1H3,(H,19,20)/b;10-9+/t23-;/m0./s1