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

Systemtic Name: 4-[1-[(4-bromophenyl)methyl]-5-chloranyl-2-methyl-indol-3-yl]pentanoic acid Openeye Name: 4-[1-[(4-bromophenyl)methyl]-5-chloro-2-methyl-indol-3-yl]pentanoic acid CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-chloro-2-methyl-3-indolyl]pentanoic acid IUPAC Name: 4-[1-[(4-bromophenyl)methyl]-5-chloro-2-methylindol-3-yl]pentanoic acid Traditional Name: 4-[1-(4-bromobenzyl)-5-chloro-2-methyl-indol-3-yl]valeric acid Formula: C21H21BrClNO2 MolecularWeight: 434.75394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)Cl)C(C)CCC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)Cl)C(C)CCC(=O)O

InChI

InChI=1S/C21H21BrClNO2/c1-13(3-10-20(25)26)21-14(2)24(12-15-4-6-16(22)7-5-15)19-9-8-17(23)11-18(19)21/h4-9,11,13H,3,10,12H2,1-2H3,(H,25,26)