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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(C)C1=NC=CC(=C1)C2=C(C=C(C=C2)CCC(=O)O)OCCC

Isomeric SMILES

CCCCCCNC(=O)N(C)C1=NC=CC(=C1)C2=C(C=C(C=C2)CCC(=O)O)OCCC

InChI

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