3-[3-bromanyl-4-oxidanyl-5-[3-(phenylmethyl)-1H-indol-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[3-bromanyl-4-oxidanyl-5-[3-(phenylmethyl)-1H-indol-2-yl]phenyl]propanoic acid Openeye Name: 3-[3-(3-benzyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]propanoic acid CAS Name: 3-[3-bromo-4-hydroxy-5-[3-(phenylmethyl)-1H-indol-2-yl]phenyl]propanoic acid IUPAC Name: 3-[3-(3-benzyl-1H-indol-2-yl)-5-bromo-4-hydroxyphenyl]propanoic acid Traditional Name: 3-[3-(3-benzyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]propionic acid Formula: C24H20BrNO3 MolecularWeight: 450.3245

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(NC3=CC=CC=C32)C4=CC(=CC(=C4O)Br)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(NC3=CC=CC=C32)C4=CC(=CC(=C4O)Br)CCC(=O)O

InChI

InChI=1S/C24H20BrNO3/c25-20-14-16(10-11-22(27)28)13-19(24(20)29)23-18(12-15-6-2-1-3-7-15)17-8-4-5-9-21(17)26-23/h1-9,13-14,26,29H,10-12H2,(H,27,28)