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

Systemtic Name: 2-[1-bromanyl-6-[[(4-cyclohexylphenyl)carbonyl-methyl-amino]methyl]naphthalen-2-yl]oxy-3-phenyl-propanoic acid Openeye Name: 2-[[1-bromo-6-[[(4-cyclohexylbenzoyl)-methyl-amino]methyl]-2-naphthyl]oxy]-3-phenyl-propanoic acid CAS Name: 2-[[1-bromo-6-[[[(4-cyclohexylphenyl)-oxomethyl]-methylamino]methyl]-2-naphthalenyl]oxy]-3-phenylpropanoic acid IUPAC Name: 2-[1-bromo-6-[[(4-cyclohexylbenzoyl)-methylamino]methyl]naphthalen-2-yl]oxy-3-phenylpropanoic acid Traditional Name: 2-[1-bromo-6-[[(4-cyclohexylbenzoyl)-methyl-amino]methyl]-2-naphthoxy]-3-phenyl-propionic acid Formula: C34H34BrNO4 MolecularWeight: 600.54206

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)C(=C(C=C2)OC(CC3=CC=CC=C3)C(=O)O)Br)C(=O)C4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CN(CC1=CC2=C(C=C1)C(=C(C=C2)OC(CC3=CC=CC=C3)C(=O)O)Br)C(=O)C4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C34H34BrNO4/c1-36(33(37)27-15-13-26(14-16-27)25-10-6-3-7-11-25)22-24-12-18-29-28(20-24)17-19-30(32(29)35)40-31(34(38)39)21-23-8-4-2-5-9-23/h2,4-5,8-9,12-20,25,31H,3,6-7,10-11,21-22H2,1H3,(H,38,39)