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

Systemtic Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2-methyl-2-oxidanyl-butanoic acid Openeye Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2-hydroxy-2-methyl-butanoic acid CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]-2-hydroxy-2-methylbutanoic acid IUPAC Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-2-methylbutanoic acid Traditional Name: 4-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]-2-hydroxy-2-methyl-butyric acid Formula: C22H24BrNO4 MolecularWeight: 446.33426

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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(C)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO4/c1-14-18(10-11-22(2,27)21(25)26)19-12-17(28-3)8-9-20(19)24(14)13-15-4-6-16(23)7-5-15/h4-9,12,27H,10-11,13H2,1-3H3,(H,25,26)