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

Systemtic Name: 3-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]methyl]-2-methyl-pentanoic acid Openeye Name: 3-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]methyl]-2-methyl-pentanoic acid CAS Name: 3-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]methyl]-2-methylpentanoic acid IUPAC Name: 3-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]methyl]-2-methylpentanoic acid Traditional Name: 3-[[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]methyl]-2-methyl-valeric acid Formula: C24H28BrNO3 MolecularWeight: 458.38802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)Br)C)C(C)C(=O)O

Isomeric SMILES

CCC(CC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)Br)C)C(C)C(=O)O

InChI

InChI=1S/C24H28BrNO3/c1-5-18(15(2)24(27)28)12-21-16(3)26(14-17-6-8-19(25)9-7-17)23-11-10-20(29-4)13-22(21)23/h6-11,13,15,18H,5,12,14H2,1-4H3,(H,27,28)