3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-[(2-methylpyridin-3-yl)oxymethyl]phenyl]propanoic acid

Systemtic Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-[(2-methylpyridin-3-yl)oxymethyl]phenyl]propanoic acid Openeye Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-[(2-methyl-3-pyridyl)oxymethyl]phenyl]propanoic acid CAS Name: 3-[2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-4-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]propanoic acid IUPAC Name: 3-[2-[(3-methyl-1-phenylbutyl)carbamoyl]-4-[(2-methylpyridin-3-yl)oxymethyl]phenyl]propanoic acid Traditional Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-[(2-methyl-3-pyridyl)oxymethyl]phenyl]propionic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)OCC2=CC(=C(C=C2)CCC(=O)O)C(=O)NC(CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=N1)OCC2=CC(=C(C=C2)CCC(=O)O)C(=O)NC(CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C28H32N2O4/c1-19(2)16-25(23-8-5-4-6-9-23)30-28(33)24-17-21(11-12-22(24)13-14-27(31)32)18-34-26-10-7-15-29-20(26)3/h4-12,15,17,19,25H,13-14,16,18H2,1-3H3,(H,30,33)(H,31,32)