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

Systemtic Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2,2-dimethyl-butanoic acid Openeye Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2,2-dimethyl-butanoic acid CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]-2,2-dimethylbutanoic acid IUPAC Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2,2-dimethylbutanoic acid Traditional Name: 4-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]-2,2-dimethyl-butyric acid Formula: C23H26BrNO3 MolecularWeight: 444.36144

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrNO3/c1-15-19(11-12-23(2,3)22(26)27)20-13-18(28-4)9-10-21(20)25(15)14-16-5-7-17(24)8-6-16/h5-10,13H,11-12,14H2,1-4H3,(H,26,27)