2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]methyl]-3-(4-methylsulfanylphenyl)propanoic acid

Systemtic Name: 2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]methyl]-3-(4-methylsulfanylphenyl)propanoic acid Openeye Name: 2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]methyl]-3-(4-methylsulfanylphenyl)propanoic acid CAS Name: 2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]methyl]-3-[4-(methylthio)phenyl]propanoic acid IUPAC Name: 2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]methyl]-3-(4-methylsulfanylphenyl)propanoic acid Traditional Name: 2-[[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]methyl]-3-[4-(methylthio)phenyl]propionic acid Formula: C28H28BrNO3S MolecularWeight: 538.49582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)CC(CC4=CC=C(C=C4)SC)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)CC(CC4=CC=C(C=C4)SC)C(=O)O

InChI

InChI=1S/C28H28BrNO3S/c1-18-25(15-21(28(31)32)14-19-6-11-24(34-3)12-7-19)26-16-23(33-2)10-13-27(26)30(18)17-20-4-8-22(29)9-5-20/h4-13,16,21H,14-15,17H2,1-3H3,(H,31,32)