3-[[1-[(4-bromophenyl)methyl]-5-chloranyl-2-methyl-indol-3-yl]methyl]pentanoic acid

Systemtic Name: 3-[[1-[(4-bromophenyl)methyl]-5-chloranyl-2-methyl-indol-3-yl]methyl]pentanoic acid Openeye Name: 3-[[1-[(4-bromophenyl)methyl]-5-chloro-2-methyl-indol-3-yl]methyl]pentanoic acid CAS Name: 3-[[1-[(4-bromophenyl)methyl]-5-chloro-2-methyl-3-indolyl]methyl]pentanoic acid IUPAC Name: 3-[[1-[(4-bromophenyl)methyl]-5-chloro-2-methylindol-3-yl]methyl]pentanoic acid Traditional Name: 3-[[1-(4-bromobenzyl)-5-chloro-2-methyl-indol-3-yl]methyl]valeric acid Formula: C22H23BrClNO2 MolecularWeight: 448.78052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(N(C2=C1C=C(C=C2)Cl)CC3=CC=C(C=C3)Br)C)CC(=O)O

Isomeric SMILES

CCC(CC1=C(N(C2=C1C=C(C=C2)Cl)CC3=CC=C(C=C3)Br)C)CC(=O)O

InChI

InChI=1S/C22H23BrClNO2/c1-3-15(11-22(26)27)10-19-14(2)25(13-16-4-6-17(23)7-5-16)21-9-8-18(24)12-20(19)21/h4-9,12,15H,3,10-11,13H2,1-2H3,(H,26,27)