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

Systemtic Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]butanoic acid CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]butanoic acid Traditional Name: 2-benzyl-4-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]butyric acid Formula: C28H28BrNO3 MolecularWeight: 506.43082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28BrNO3/c1-19-25(14-10-22(28(31)32)16-20-6-4-3-5-7-20)26-17-24(33-2)13-15-27(26)30(19)18-21-8-11-23(29)12-9-21/h3-9,11-13,15,17,22H,10,14,16,18H2,1-2H3,(H,31,32)