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

Systemtic Name: 4-[1-[(4-bromophenyl)methyl]-2,5-dimethyl-indol-3-yl]butanoic acid Openeye Name: 4-[1-[(4-bromophenyl)methyl]-2,5-dimethyl-indol-3-yl]butanoic acid CAS Name: 4-[1-[(4-bromophenyl)methyl]-2,5-dimethyl-3-indolyl]butanoic acid IUPAC Name: 4-[1-[(4-bromophenyl)methyl]-2,5-dimethylindol-3-yl]butanoic acid Traditional Name: 4-[1-(4-bromobenzyl)-2,5-dimethyl-indol-3-yl]butyric acid Formula: C21H22BrNO2 MolecularWeight: 400.30888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2CCCC(=O)O)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2CCCC(=O)O)C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrNO2/c1-14-6-11-20-19(12-14)18(4-3-5-21(24)25)15(2)23(20)13-16-7-9-17(22)10-8-16/h6-12H,3-5,13H2,1-2H3,(H,24,25)