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

Systemtic Name: 3-[4-[6-[butylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[6-[butylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[6-[[butylamino(oxo)methyl]-methylamino]-2-pyridinyl]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[6-[butylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[6-[butylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]-2-ethoxy-propionic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(C)C1=CC=CC(=N1)C2=CC=C(C=C2)CC(C(=O)O)OCC

Isomeric SMILES

CCCCNC(=O)N(C)C1=CC=CC(=N1)C2=CC=C(C=C2)CC(C(=O)O)OCC

InChI

InChI=1S/C22H29N3O4/c1-4-6-14-23-22(28)25(3)20-9-7-8-18(24-20)17-12-10-16(11-13-17)15-19(21(26)27)29-5-2/h7-13,19H,4-6,14-15H2,1-3H3,(H,23,28)(H,26,27)