3-[3-bromanyl-2-oxidanyl-5-(8-phenyloctylcarbamoyl)phenyl]benzoic acid

Systemtic Name: 3-[3-bromanyl-2-oxidanyl-5-(8-phenyloctylcarbamoyl)phenyl]benzoic acid Openeye Name: 3-[3-bromo-2-hydroxy-5-(8-phenyloctylcarbamoyl)phenyl]benzoic acid CAS Name: 3-[3-bromo-2-hydroxy-5-[oxo-(8-phenyloctylamino)methyl]phenyl]benzoic acid IUPAC Name: 3-[3-bromo-2-hydroxy-5-(8-phenyloctylcarbamoyl)phenyl]benzoic acid Traditional Name: 3-[3-bromo-2-hydroxy-5-(8-phenyloctylcarbamoyl)phenyl]benzoic acid Formula: C28H30BrNO4 MolecularWeight: 524.4461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCNC(=O)C2=CC(=C(C(=C2)C3=CC(=CC=C3)C(=O)O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCNC(=O)C2=CC(=C(C(=C2)C3=CC(=CC=C3)C(=O)O)O)Br

InChI

InChI=1S/C28H30BrNO4/c29-25-19-23(18-24(26(25)31)21-14-10-15-22(17-21)28(33)34)27(32)30-16-9-4-2-1-3-6-11-20-12-7-5-8-13-20/h5,7-8,10,12-15,17-19,31H,1-4,6,9,11,16H2,(H,30,32)(H,33,34)