2-(decanoylamino)-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-(decanoylamino)-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-(decanoylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-(1-oxodecylamino)propanoic acid IUPAC Name: 2-(decanoylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-(caprylamino)-3-(1H-indol-3-yl)propionic acid Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C21H30N2O3/c1-2-3-4-5-6-7-8-13-20(24)23-19(21(25)26)14-16-15-22-18-12-10-9-11-17(16)18/h9-12,15,19,22H,2-8,13-14H2,1H3,(H,23,24)(H,25,26)