4-[1-[3-[(3-bromanylphenoxy)methyl]phenyl]carbonylindol-3-yl]butanoic acid

Systemtic Name: 4-[1-[3-[(3-bromanylphenoxy)methyl]phenyl]carbonylindol-3-yl]butanoic acid Openeye Name: 4-[1-[3-[(3-bromophenoxy)methyl]benzoyl]indol-3-yl]butanoic acid CAS Name: 4-[1-[[3-[(3-bromophenoxy)methyl]phenyl]-oxomethyl]-3-indolyl]butanoic acid IUPAC Name: 4-[1-[3-[(3-bromophenoxy)methyl]benzoyl]indol-3-yl]butanoic acid Traditional Name: 4-[1-[3-[(3-bromophenoxy)methyl]benzoyl]indol-3-yl]butyric acid Formula: C26H22BrNO4 MolecularWeight: 492.36118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2C(=O)C3=CC(=CC=C3)COC4=CC(=CC=C4)Br)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2C(=O)C3=CC(=CC=C3)COC4=CC(=CC=C4)Br)CCCC(=O)O

InChI

InChI=1S/C26H22BrNO4/c27-21-9-5-10-22(15-21)32-17-18-6-3-7-19(14-18)26(31)28-16-20(8-4-13-25(29)30)23-11-1-2-12-24(23)28/h1-3,5-7,9-12,14-16H,4,8,13,17H2,(H,29,30)