3-[4-[(2-methylphenoxy)methyl]-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-methylphenoxy)methyl]-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2-methylphenoxy)methyl]-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(2-methylphenoxy)methyl]-2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-methylphenoxy)methyl]-2-[(3-methyl-1-phenylbutyl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2-methylphenoxy)methyl]-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propionic acid Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=CC(=C(C=C2)CCC(=O)O)C(=O)NC(CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1OCC2=CC(=C(C=C2)CCC(=O)O)C(=O)NC(CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C29H33NO4/c1-20(2)17-26(24-10-5-4-6-11-24)30-29(33)25-18-22(13-14-23(25)15-16-28(31)32)19-34-27-12-8-7-9-21(27)3/h4-14,18,20,26H,15-17,19H2,1-3H3,(H,30,33)(H,31,32)