ethanoyl 3-methyl-2-[4-(2-oxidanylidene-4-piperidin-4-yl-piperazin-1-yl)phenoxy]butanoate

Systemtic Name: ethanoyl 3-methyl-2-[4-(2-oxidanylidene-4-piperidin-4-yl-piperazin-1-yl)phenoxy]butanoate Openeye Name: acetyl 3-methyl-2-[4-[2-oxo-4-(4-piperidyl)piperazin-1-yl]phenoxy]butanoate CAS Name: 3-methyl-2-[4-[2-oxo-4-(4-piperidinyl)-1-piperazinyl]phenoxy]butanoic acid acetyl ester IUPAC Name: acetyl 3-methyl-2-[4-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)phenoxy]butanoate Traditional Name: 2-[4-[2-keto-4-(4-piperidyl)piperazino]phenoxy]-3-methyl-butyric acid acetyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(=O)C)OC1=CC=C(C=C1)N2CCN(CC2=O)C3CCNCC3

Isomeric SMILES

CC(C)C(C(=O)OC(=O)C)OC1=CC=C(C=C1)N2CCN(CC2=O)C3CCNCC3

InChI

InChI=1S/C22H31N3O5/c1-15(2)21(22(28)29-16(3)26)30-19-6-4-18(5-7-19)25-13-12-24(14-20(25)27)17-8-10-23-11-9-17/h4-7,15,17,21,23H,8-14H2,1-3H3