3-[5-[4-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]furan-2-yl]propanoic acid

Systemtic Name: 3-[5-[4-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]furan-2-yl]propanoic acid Openeye Name: 3-[5-[4-[heptylcarbamoyl(methyl)amino]-2-pyridyl]-2-furyl]propanoic acid CAS Name: 3-[5-[4-[[(heptylamino)-oxomethyl]-methylamino]-2-pyridinyl]-2-furanyl]propanoic acid IUPAC Name: 3-[5-[4-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]furan-2-yl]propanoic acid Traditional Name: 3-[5-[4-[heptylcarbamoyl(methyl)amino]-2-pyridyl]-2-furyl]propionic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC(=NC=C1)C2=CC=C(O2)CCC(=O)O

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC(=NC=C1)C2=CC=C(O2)CCC(=O)O

InChI

InChI=1S/C21H29N3O4/c1-3-4-5-6-7-13-23-21(27)24(2)16-12-14-22-18(15-16)19-10-8-17(28-19)9-11-20(25)26/h8,10,12,14-15H,3-7,9,11,13H2,1-2H3,(H,23,27)(H,25,26)