3-[[4-[1-(3,5-dimethyl-4-phenyl-phenoxy)-3-methyl-butyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[1-(3,5-dimethyl-4-phenyl-phenoxy)-3-methyl-butyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[1-(3,5-dimethyl-4-phenyl-phenoxy)-3-methyl-butyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[1-(3,5-dimethyl-4-phenylphenoxy)-3-methylbutyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[1-(3,5-dimethyl-4-phenylphenoxy)-3-methylbutyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[1-(3,5-dimethyl-4-phenyl-phenoxy)-3-methyl-butyl]benzoyl]amino]propionic acid Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC=CC=C2)C)OC(CC(C)C)C3=CC=C(C=C3)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC=CC=C2)C)OC(CC(C)C)C3=CC=C(C=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C29H33NO4/c1-19(2)16-26(22-10-12-24(13-11-22)29(33)30-15-14-27(31)32)34-25-17-20(3)28(21(4)18-25)23-8-6-5-7-9-23/h5-13,17-19,26H,14-16H2,1-4H3,(H,30,33)(H,31,32)