3-(1H-indol-5-yl)-2-phenoxy-2-(prop-2-enoylamino)butanoic acid

Systemtic Name: 3-(1H-indol-5-yl)-2-phenoxy-2-(prop-2-enoylamino)butanoic acid Openeye Name: 3-(1H-indol-5-yl)-2-phenoxy-2-(prop-2-enoylamino)butanoic acid CAS Name: 3-(1H-indol-5-yl)-2-(1-oxoprop-2-enylamino)-2-phenoxybutanoic acid IUPAC Name: 3-(1H-indol-5-yl)-2-phenoxy-2-(prop-2-enoylamino)butanoic acid Traditional Name: 2-acrylamido-3-(1H-indol-5-yl)-2-phenoxy-butyric acid Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)NC=C2)C(C(=O)O)(NC(=O)C=C)OC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC2=C(C=C1)NC=C2)C(C(=O)O)(NC(=O)C=C)OC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-3-19(24)23-21(20(25)26,27-17-7-5-4-6-8-17)14(2)15-9-10-18-16(13-15)11-12-22-18/h3-14,22H,1H2,2H3,(H,23,24)(H,25,26)