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

Systemtic Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2,3-dimethyl-butanoic acid Openeye Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2,3-dimethyl-butanoic acid CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]-2,3-dimethylbutanoic acid IUPAC Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2,3-dimethylbutanoic acid Traditional Name: 4-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]-2,3-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)CC(C)C(C)C(=O)O

Isomeric SMILES

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

InChI

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