methyl 3-[5-bromanyl-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate

Systemtic Name: methyl 3-[5-bromanyl-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate Openeye Name: methyl 3-[5-bromo-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate CAS Name: 3-[5-bromo-1-[4-(1-imidazolyl)phenyl]-3-methyl-2-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-bromo-1-(4-imidazol-1-ylphenyl)-3-methylindol-2-yl]propanoate Traditional Name: 3-[5-bromo-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propionic acid methyl ester Formula: C22H20BrN3O2 MolecularWeight: 438.3171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)Br)C3=CC=C(C=C3)N4C=CN=C4)CCC(=O)OC

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)Br)C3=CC=C(C=C3)N4C=CN=C4)CCC(=O)OC

InChI

InChI=1S/C22H20BrN3O2/c1-15-19-13-16(23)3-8-21(19)26(20(15)9-10-22(27)28-2)18-6-4-17(5-7-18)25-12-11-24-14-25/h3-8,11-14H,9-10H2,1-2H3