3-[2-methyl-4-[6-[methyl(4-methylpentylcarbamoyl)amino]pyridin-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[2-methyl-4-[6-[methyl(4-methylpentylcarbamoyl)amino]pyridin-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[6-[isohexylcarbamoyl(methyl)amino]-2-pyridyl]-2-methyl-phenyl]propanoic acid CAS Name: 3-[2-methyl-4-[6-[methyl-[(4-methylpentylamino)-oxomethyl]amino]-2-pyridinyl]phenyl]propanoic acid IUPAC Name: 3-[2-methyl-4-[6-[methyl(4-methylpentylcarbamoyl)amino]pyridin-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[6-[isohexylcarbamoyl(methyl)amino]-2-pyridyl]-2-methyl-phenyl]propionic acid Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=CC=C2)N(C)C(=O)NCCCC(C)C)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=CC=C2)N(C)C(=O)NCCCC(C)C)CCC(=O)O

InChI

InChI=1S/C23H31N3O3/c1-16(2)7-6-14-24-23(29)26(4)21-9-5-8-20(25-21)19-11-10-18(17(3)15-19)12-13-22(27)28/h5,8-11,15-16H,6-7,12-14H2,1-4H3,(H,24,29)(H,27,28)