methyl (2R)-2-[(3-bromanyl-1-methyl-indol-2-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[(3-bromanyl-1-methyl-indol-2-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[(3-bromo-1-methyl-indole-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[(3-bromo-1-methyl-2-indolyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(3-bromo-1-methylindole-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[(3-bromo-1-methyl-indole-2-carbonyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H20BrN3O3 MolecularWeight: 454.3165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC)Br

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC)Br

InChI

InChI=1S/C22H20BrN3O3/c1-26-18-10-6-4-8-15(18)19(23)20(26)21(27)25-17(22(28)29-2)11-13-12-24-16-9-5-3-7-14(13)16/h3-10,12,17,24H,11H2,1-2H3,(H,25,27)/t17-/m1/s1