2-[1-bromanyl-6-[[(3-phenoxyphenyl)carbonylamino]methyl]naphthalen-2-yl]oxy-3-phenyl-propanoic acid

Systemtic Name: 2-[1-bromanyl-6-[[(3-phenoxyphenyl)carbonylamino]methyl]naphthalen-2-yl]oxy-3-phenyl-propanoic acid Openeye Name: 2-[[1-bromo-6-[[(3-phenoxybenzoyl)amino]methyl]-2-naphthyl]oxy]-3-phenyl-propanoic acid CAS Name: 2-[[1-bromo-6-[[[oxo-(3-phenoxyphenyl)methyl]amino]methyl]-2-naphthalenyl]oxy]-3-phenylpropanoic acid IUPAC Name: 2-[1-bromo-6-[[(3-phenoxybenzoyl)amino]methyl]naphthalen-2-yl]oxy-3-phenylpropanoic acid Traditional Name: 2-[1-bromo-6-[[(3-phenoxybenzoyl)amino]methyl]-2-naphthoxy]-3-phenyl-propionic acid Formula: C33H26BrNO5 MolecularWeight: 596.46724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)OC2=C(C3=C(C=C2)C=C(C=C3)CNC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)OC2=C(C3=C(C=C2)C=C(C=C3)CNC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5)Br

InChI

InChI=1S/C33H26BrNO5/c34-31-28-16-14-23(21-35-32(36)25-10-7-13-27(20-25)39-26-11-5-2-6-12-26)18-24(28)15-17-29(31)40-30(33(37)38)19-22-8-3-1-4-9-22/h1-18,20,30H,19,21H2,(H,35,36)(H,37,38)