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

Systemtic Name: 2-ethoxy-3-[6-[4-[methyl(pentylcarbamoyl)amino]phenyl]pyridin-3-yl]propanoic acid Openeye Name: 2-ethoxy-3-[6-[4-[methyl(pentylcarbamoyl)amino]phenyl]-3-pyridyl]propanoic acid CAS Name: 2-ethoxy-3-[6-[4-[methyl-[oxo-(pentylamino)methyl]amino]phenyl]-3-pyridinyl]propanoic acid IUPAC Name: 2-ethoxy-3-[6-[4-[methyl(pentylcarbamoyl)amino]phenyl]pyridin-3-yl]propanoic acid Traditional Name: 3-[6-[4-[amylcarbamoyl(methyl)amino]phenyl]-3-pyridyl]-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=C(C=C1)C2=NC=C(C=C2)CC(C(=O)O)OCC

Isomeric SMILES

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

InChI

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