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

Systemtic Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]butanoic acid Openeye Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]butanoic acid CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]butanoic acid IUPAC Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]butanoic acid Traditional Name: 4-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]butyric acid Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO3/c1-14-18(4-3-5-21(24)25)19-12-17(26-2)10-11-20(19)23(14)13-15-6-8-16(22)9-7-15/h6-12H,3-5,13H2,1-2H3,(H,24,25)