2-[1-bromanyl-6-[[(4-cyclohexylphenyl)carbonylamino]methyl]naphthalen-2-yl]oxy-3-phenyl-propanoic acid

Systemtic Name: 2-[1-bromanyl-6-[[(4-cyclohexylphenyl)carbonylamino]methyl]naphthalen-2-yl]oxy-3-phenyl-propanoic acid Openeye Name: 2-[[1-bromo-6-[[(4-cyclohexylbenzoyl)amino]methyl]-2-naphthyl]oxy]-3-phenyl-propanoic acid CAS Name: 2-[[1-bromo-6-[[[(4-cyclohexylphenyl)-oxomethyl]amino]methyl]-2-naphthalenyl]oxy]-3-phenylpropanoic acid IUPAC Name: 2-[1-bromo-6-[[(4-cyclohexylbenzoyl)amino]methyl]naphthalen-2-yl]oxy-3-phenylpropanoic acid Traditional Name: 2-[1-bromo-6-[[(4-cyclohexylbenzoyl)amino]methyl]-2-naphthoxy]-3-phenyl-propionic acid Formula: C33H32BrNO4 MolecularWeight: 586.51548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)C(=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O)Br

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)C(=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O)Br

InChI

InChI=1S/C33H32BrNO4/c34-31-28-17-11-23(21-35-32(36)26-14-12-25(13-15-26)24-9-5-2-6-10-24)19-27(28)16-18-29(31)39-30(33(37)38)20-22-7-3-1-4-8-22/h1,3-4,7-8,11-19,24,30H,2,5-6,9-10,20-21H2,(H,35,36)(H,37,38)