methyl 3-(4-bromanyl-1H-indol-3-yl)-2-(1-phenylethylcarbamoylamino)propanoate

Systemtic Name: methyl 3-(4-bromanyl-1H-indol-3-yl)-2-(1-phenylethylcarbamoylamino)propanoate Openeye Name: methyl 3-(4-bromo-1H-indol-3-yl)-2-(1-phenylethylcarbamoylamino)propanoate CAS Name: 3-(4-bromo-1H-indol-3-yl)-2-[[oxo-(1-phenylethylamino)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-bromo-1H-indol-3-yl)-2-(1-phenylethylcarbamoylamino)propanoate Traditional Name: 3-(4-bromo-1H-indol-3-yl)-2-(1-phenylethylcarbamoylamino)propionic acid methyl ester Formula: C21H22BrN3O3 MolecularWeight: 444.32168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)NC(CC2=CNC3=C2C(=CC=C3)Br)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)NC(CC2=CNC3=C2C(=CC=C3)Br)C(=O)OC

InChI

InChI=1S/C21H22BrN3O3/c1-13(14-7-4-3-5-8-14)24-21(27)25-18(20(26)28-2)11-15-12-23-17-10-6-9-16(22)19(15)17/h3-10,12-13,18,23H,11H2,1-2H3,(H2,24,25,27)