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

Systemtic Name: 2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]methyl]benzoic acid Openeye Name: 2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]methyl]benzoic acid CAS Name: 2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]methyl]benzoic acid IUPAC Name: 2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]methyl]benzoic acid Traditional Name: 2-[[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]methyl]benzoic acid Formula: C25H22BrNO3 MolecularWeight: 464.35108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H22BrNO3/c1-16-22(13-18-5-3-4-6-21(18)25(28)29)23-14-20(30-2)11-12-24(23)27(16)15-17-7-9-19(26)10-8-17/h3-12,14H,13,15H2,1-2H3,(H,28,29)