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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(N(C3=C2C=C(C=C3)OC)CC4=CC=C(C=C4)Br)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(N(C3=C2C=C(C=C3)OC)CC4=CC=C(C=C4)Br)C)C(=O)O

InChI

InChI=1S/C25H22BrNO3/c1-15-4-7-18(12-21(15)25(28)29)24-16(2)27(14-17-5-8-19(26)9-6-17)23-11-10-20(30-3)13-22(23)24/h4-13H,14H2,1-3H3,(H,28,29)