2-methyl-2-[3-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenoxy]propanoate

Systemtic Name: 2-methyl-2-[3-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenoxy]propanoate Openeye Name: 2-methyl-2-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenoxy]propanoate CAS Name: 2-methyl-2-[3-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenoxy]propanoate IUPAC Name: 2-methyl-2-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenoxy]propanoate Traditional Name: 2-methyl-2-[3-(4-nicotinoylpiperazino)phenoxy]propionate Formula: C20H22N3O4- MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[O-])OC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C(=O)[O-])OC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H23N3O4/c1-20(2,19(25)26)27-17-7-3-6-16(13-17)22-9-11-23(12-10-22)18(24)15-5-4-8-21-14-15/h3-8,13-14H,9-12H2,1-2H3,(H,25,26)/p-1