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

Systemtic Name: 3-[3-butoxy-4-[4-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]propanoic acid Openeye Name: 3-[3-butoxy-4-[4-[heptylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propanoic acid CAS Name: 3-[3-butoxy-4-[4-[[(heptylamino)-oxomethyl]-methylamino]-2-pyridinyl]phenyl]propanoic acid IUPAC Name: 3-[3-butoxy-4-[4-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]propanoic acid Traditional Name: 3-[3-butoxy-4-[4-[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(=NC=C1)C2=C(C=C(C=C2)CCC(=O)O)OCCCC

Isomeric SMILES

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

InChI

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