2-[1-bromanyl-6-[[(3,5-ditert-butylphenyl)carbonylamino]methyl]naphthalen-2-yl]oxy-3-phenyl-propanoic acid

Systemtic Name: 2-[1-bromanyl-6-[[(3,5-ditert-butylphenyl)carbonylamino]methyl]naphthalen-2-yl]oxy-3-phenyl-propanoic acid Openeye Name: 2-[[1-bromo-6-[[(3,5-ditert-butylbenzoyl)amino]methyl]-2-naphthyl]oxy]-3-phenyl-propanoic acid CAS Name: 2-[[1-bromo-6-[[[(3,5-ditert-butylphenyl)-oxomethyl]amino]methyl]-2-naphthalenyl]oxy]-3-phenylpropanoic acid IUPAC Name: 2-[1-bromo-6-[[(3,5-ditert-butylbenzoyl)amino]methyl]naphthalen-2-yl]oxy-3-phenylpropanoic acid Traditional Name: 2-[1-bromo-6-[[(3,5-ditert-butylbenzoyl)amino]methyl]-2-naphthoxy]-3-phenyl-propionic acid Formula: C35H38BrNO4 MolecularWeight: 616.58452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)NCC2=CC3=C(C=C2)C(=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)Br)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)NCC2=CC3=C(C=C2)C(=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)Br)C(C)(C)C

InChI

InChI=1S/C35H38BrNO4/c1-34(2,3)26-18-25(19-27(20-26)35(4,5)6)32(38)37-21-23-12-14-28-24(16-23)13-15-29(31(28)36)41-30(33(39)40)17-22-10-8-7-9-11-22/h7-16,18-20,30H,17,21H2,1-6H3,(H,37,38)(H,39,40)