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

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

Systemtic Name:3-[4-[4-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]propanoic acid
Openeye Name:3-[4-[4-[heptylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propanoic acid
CAS Name:3-[4-[4-[[(heptylamino)-oxomethyl]-methylamino]-2-pyridinyl]phenyl]propanoic acid
IUPAC Name:3-[4-[4-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]propanoic acid
Traditional Name:3-[4-[4-[heptylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propionic acid
Formula: C23H31N3O3
MolecularWeight: 397.51054
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H31N3O3/c1-3-4-5-6-7-15-25-23(29)26(2)20-14-16-24-21(17-20)19-11-8-18(9-12-19)10-13-22(27)28/h8-9,11-12,14,16-17H,3-7,10,13,15H2,1-2H3,(H,25,29)(H,27,28)


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