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

Systemtic Name: 3-[4-[6-[hexylcarbamoyl(methyl)amino]pyridin-2-yl]-3-propan-2-yloxy-phenyl]propanoic acid Openeye Name: 3-[4-[6-[hexylcarbamoyl(methyl)amino]-2-pyridyl]-3-isopropoxy-phenyl]propanoic acid CAS Name: 3-[4-[6-[[(hexylamino)-oxomethyl]-methylamino]-2-pyridinyl]-3-propan-2-yloxyphenyl]propanoic acid IUPAC Name: 3-[4-[6-[hexylcarbamoyl(methyl)amino]pyridin-2-yl]-3-propan-2-yloxyphenyl]propanoic acid Traditional Name: 3-[4-[6-[hexylcarbamoyl(methyl)amino]-2-pyridyl]-3-isopropoxy-phenyl]propionic acid Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(C)C1=CC=CC(=N1)C2=C(C=C(C=C2)CCC(=O)O)OC(C)C

Isomeric SMILES

CCCCCCNC(=O)N(C)C1=CC=CC(=N1)C2=C(C=C(C=C2)CCC(=O)O)OC(C)C

InChI

InChI=1S/C25H35N3O4/c1-5-6-7-8-16-26-25(31)28(4)23-11-9-10-21(27-23)20-14-12-19(13-15-24(29)30)17-22(20)32-18(2)3/h9-12,14,17-18H,5-8,13,15-16H2,1-4H3,(H,26,31)(H,29,30)