(E)-6-[2-bromanyl-3-[(4-chlorophenyl)methyl]indol-1-yl]hex-2-enoic acid

Systemtic Name: (E)-6-[2-bromanyl-3-[(4-chlorophenyl)methyl]indol-1-yl]hex-2-enoic acid Openeye Name: (E)-6-[2-bromo-3-[(4-chlorophenyl)methyl]indol-1-yl]hex-2-enoic acid CAS Name: (E)-6-[2-bromo-3-[(4-chlorophenyl)methyl]-1-indolyl]-2-hexenoic acid IUPAC Name: (E)-6-[2-bromo-3-[(4-chlorophenyl)methyl]indol-1-yl]hex-2-enoic acid Traditional Name: (E)-6-[2-bromo-3-(4-chlorobenzyl)indol-1-yl]hex-2-enoic acid Formula: C21H19BrClNO2 MolecularWeight: 432.73806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2CCCC=CC(=O)O)Br)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2CCC/C=C/C(=O)O)Br)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19BrClNO2/c22-21-18(14-15-9-11-16(23)12-10-15)17-6-3-4-7-19(17)24(21)13-5-1-2-8-20(25)26/h2-4,6-12H,1,5,13-14H2,(H,25,26)/b8-2+