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

Systemtic Name: 2-methyl-2-[3-(4-pyridin-4-ylcarbonylpiperazin-1-yl)phenoxy]propanoate Openeye Name: 2-methyl-2-[3-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenoxy]propanoate CAS Name: 2-methyl-2-[3-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]phenoxy]propanoate IUPAC Name: 2-methyl-2-[3-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenoxy]propanoate Traditional Name: 2-[3-(4-isonicotinoylpiperazino)phenoxy]-2-methyl-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=CC=NC=C3

Isomeric SMILES

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

InChI

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