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

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

Isomeric SMILES

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

InChI

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