methyl (2R)-2-[2-(4-bromanylphenoxy)propanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[2-(4-bromanylphenoxy)propanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[2-(4-bromophenoxy)propanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[2-(4-bromophenoxy)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[2-(4-bromophenoxy)propanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[2-(4-bromophenoxy)propanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)OC)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O4/c1-13(28-16-9-7-15(22)8-10-16)20(25)24-19(21(26)27-2)11-14-12-23-18-6-4-3-5-17(14)18/h3-10,12-13,19,23H,11H2,1-2H3,(H,24,25)/t13?,19-/m1/s1