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

Systemtic Name: methyl (2R)-2-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H20BrClN2O4 MolecularWeight: 479.7515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrClN2O4/c1-12(29-19-8-7-14(23)10-16(19)22)20(26)25-18(21(27)28-2)9-13-11-24-17-6-4-3-5-15(13)17/h3-8,10-12,18,24H,9H2,1-2H3,(H,25,26)/t12?,18-/m1/s1