3-(methylamino)-3-oxidanylidene-2-phenoxy-2-(1-pyridin-4-ylpiperidin-4-yl)propanoic acid

Systemtic Name: 3-(methylamino)-3-oxidanylidene-2-phenoxy-2-(1-pyridin-4-ylpiperidin-4-yl)propanoic acid Openeye Name: 3-(methylamino)-3-oxo-2-phenoxy-2-[1-(4-pyridyl)-4-piperidyl]propanoic acid CAS Name: 3-(methylamino)-3-oxo-2-phenoxy-2-(1-pyridin-4-yl-4-piperidinyl)propanoic acid IUPAC Name: 3-(methylamino)-3-oxo-2-phenoxy-2-(1-pyridin-4-ylpiperidin-4-yl)propanoic acid Traditional Name: 3-keto-3-(methylamino)-2-phenoxy-2-[1-(4-pyridyl)-4-piperidyl]propionic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(C1CCN(CC1)C2=CC=NC=C2)(C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CNC(=O)C(C1CCN(CC1)C2=CC=NC=C2)(C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4/c1-21-18(24)20(19(25)26,27-17-5-3-2-4-6-17)15-9-13-23(14-10-15)16-7-11-22-12-8-16/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,21,24)(H,25,26)