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

Systemtic Name: 2-ethoxy-3-[4-[4-[methyl(pentylcarbamoyl)amino]pyridin-2-yl]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[4-[methyl(pentylcarbamoyl)amino]-2-pyridyl]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[4-[methyl-[oxo-(pentylamino)methyl]amino]-2-pyridinyl]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[4-[methyl(pentylcarbamoyl)amino]pyridin-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[4-[amylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]-2-ethoxy-propionic acid Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)N(C)C1=CC(=NC=C1)C2=CC=C(C=C2)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCNC(=O)N(C)C1=CC(=NC=C1)C2=CC=C(C=C2)CC(C(=O)O)OCC

InChI

InChI=1S/C23H31N3O4/c1-4-6-7-13-25-23(29)26(3)19-12-14-24-20(16-19)18-10-8-17(9-11-18)15-21(22(27)28)30-5-2/h8-12,14,16,21H,4-7,13,15H2,1-3H3,(H,25,29)(H,27,28)