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

Systemtic Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butanoic acid Openeye Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butanoic acid CAS Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]-3-methylbutanoic acid IUPAC Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-3-methylbutanoic acid Traditional Name: 3-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butyric acid Formula: C22H24BrNO3 MolecularWeight: 430.33486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO3/c1-14-21(22(2,3)12-20(25)26)18-11-17(27-4)9-10-19(18)24(14)13-15-5-7-16(23)8-6-15/h5-11H,12-13H2,1-4H3,(H,25,26)