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

Systemtic Name: 3-[2-butoxy-4-[6-[methyl(pentylcarbamoyl)amino]pyridin-2-yl]phenyl]propanoic acid Openeye Name: 3-[2-butoxy-4-[6-[methyl(pentylcarbamoyl)amino]-2-pyridyl]phenyl]propanoic acid CAS Name: 3-[2-butoxy-4-[6-[methyl-[oxo-(pentylamino)methyl]amino]-2-pyridinyl]phenyl]propanoic acid IUPAC Name: 3-[2-butoxy-4-[6-[methyl(pentylcarbamoyl)amino]pyridin-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[6-[amylcarbamoyl(methyl)amino]-2-pyridyl]-2-butoxy-phenyl]propionic acid Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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