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

Systemtic Name: 2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]methyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]methyl]cyclopropanecarboxylic acid CAS Name: 2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]methyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]methyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]methyl]cyclopropanecarboxylic acid Formula: C22H22BrNO3 MolecularWeight: 428.31898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)CC4CC4C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)CC4CC4C(=O)O

InChI

InChI=1S/C22H22BrNO3/c1-13-18(9-15-10-19(15)22(25)26)20-11-17(27-2)7-8-21(20)24(13)12-14-3-5-16(23)6-4-14/h3-8,11,15,19H,9-10,12H2,1-2H3,(H,25,26)