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

Systemtic Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-3-methyl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-3-methyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-3-methyl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-3-methylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-(4-bromobenzyl)-5-methoxy-3-methyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C22H24BrNO3 MolecularWeight: 430.33486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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