3-[2-bromanyl-3-(methoxymethoxy)-6-(7-phenylheptylcarbamoyl)phenyl]benzoic acid

Systemtic Name: 3-[2-bromanyl-3-(methoxymethoxy)-6-(7-phenylheptylcarbamoyl)phenyl]benzoic acid Openeye Name: 3-[2-bromo-3-(methoxymethoxy)-6-(7-phenylheptylcarbamoyl)phenyl]benzoic acid CAS Name: 3-[2-bromo-3-(methoxymethoxy)-6-[oxo-(7-phenylheptylamino)methyl]phenyl]benzoic acid IUPAC Name: 3-[2-bromo-3-(methoxymethoxy)-6-(7-phenylheptylcarbamoyl)phenyl]benzoic acid Traditional Name: 3-[2-bromo-3-(methoxymethoxy)-6-(7-phenylheptylcarbamoyl)phenyl]benzoic acid Formula: C29H32BrNO5 MolecularWeight: 554.47208

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=C(C(=C(C=C1)C(=O)NCCCCCCCC2=CC=CC=C2)C3=CC(=CC=C3)C(=O)O)Br

Isomeric SMILES

COCOC1=C(C(=C(C=C1)C(=O)NCCCCCCCC2=CC=CC=C2)C3=CC(=CC=C3)C(=O)O)Br

InChI

InChI=1S/C29H32BrNO5/c1-35-20-36-25-17-16-24(26(27(25)30)22-14-10-15-23(19-22)29(33)34)28(32)31-18-9-4-2-3-6-11-21-12-7-5-8-13-21/h5,7-8,10,12-17,19H,2-4,6,9,11,18,20H2,1H3,(H,31,32)(H,33,34)