3-[4-[(2,5-dimethylphenoxy)methyl]-2-[[3-methyl-1-(3-methylphenyl)butyl]carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2,5-dimethylphenoxy)methyl]-2-[[3-methyl-1-(3-methylphenyl)butyl]carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2,5-dimethylphenoxy)methyl]-2-[[3-methyl-1-(m-tolyl)butyl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(2,5-dimethylphenoxy)methyl]-2-[[[3-methyl-1-(3-methylphenyl)butyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2,5-dimethylphenoxy)methyl]-2-[[3-methyl-1-(3-methylphenyl)butyl]carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2,5-dimethylphenoxy)methyl]-2-[[3-methyl-1-(m-tolyl)butyl]carbamoyl]phenyl]propionic acid Formula: C31H37NO4 MolecularWeight: 487.62978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)COC3=C(C=CC(=C3)C)C)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)COC3=C(C=CC(=C3)C)C)CCC(=O)O

InChI

InChI=1S/C31H37NO4/c1-20(2)15-28(26-8-6-7-21(3)16-26)32-31(35)27-18-24(11-12-25(27)13-14-30(33)34)19-36-29-17-22(4)9-10-23(29)5/h6-12,16-18,20,28H,13-15,19H2,1-5H3,(H,32,35)(H,33,34)