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

Systemtic Name: 3-[3-butoxy-4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]propanoic acid Openeye Name: 3-[3-butoxy-4-[6-[heptylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propanoic acid CAS Name: 3-[3-butoxy-4-[6-[[(heptylamino)-oxomethyl]-methylamino]-2-pyridinyl]phenyl]propanoic acid IUPAC Name: 3-[3-butoxy-4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]propanoic acid Traditional Name: 3-[3-butoxy-4-[6-[heptylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propionic acid Formula: C27H39N3O4 MolecularWeight: 469.61626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=N1)C2=C(C=C(C=C2)CCC(=O)O)OCCCC

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=N1)C2=C(C=C(C=C2)CCC(=O)O)OCCCC

InChI

InChI=1S/C27H39N3O4/c1-4-6-8-9-10-18-28-27(33)30(3)25-13-11-12-23(29-25)22-16-14-21(15-17-26(31)32)20-24(22)34-19-7-5-2/h11-14,16,20H,4-10,15,17-19H2,1-3H3,(H,28,33)(H,31,32)