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

Systemtic Name: 2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]methyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]propanoic acid CAS Name: 2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]propanoic acid Traditional Name: 2-benzyl-3-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]propionic acid Formula: C27H26BrNO3 MolecularWeight: 492.40424

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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=CC=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H26BrNO3/c1-18-24(15-21(27(30)31)14-19-6-4-3-5-7-19)25-16-23(32-2)12-13-26(25)29(18)17-20-8-10-22(28)11-9-20/h3-13,16,21H,14-15,17H2,1-2H3,(H,30,31)