3-(6-phenylmethoxy-1H-indol-3-yl)-2-(propanoylamino)propanoic acid

Systemtic Name: 3-(6-phenylmethoxy-1H-indol-3-yl)-2-(propanoylamino)propanoic acid Openeye Name: 3-(6-benzyloxy-1H-indol-3-yl)-2-(propanoylamino)propanoic acid CAS Name: 2-(1-oxopropylamino)-3-(6-phenylmethoxy-1H-indol-3-yl)propanoic acid IUPAC Name: 3-(6-phenylmethoxy-1H-indol-3-yl)-2-(propanoylamino)propanoic acid Traditional Name: 3-(6-benzoxy-1H-indol-3-yl)-2-propionamido-propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(CC1=CNC2=C1C=CC(=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(=O)NC(CC1=CNC2=C1C=CC(=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-2-20(24)23-19(21(25)26)10-15-12-22-18-11-16(8-9-17(15)18)27-13-14-6-4-3-5-7-14/h3-9,11-12,19,22H,2,10,13H2,1H3,(H,23,24)(H,25,26)