hexan-2-yl 2-[4-[2-(2-oxidanylidene-4-piperidin-4-yl-piperazin-1-yl)ethanoyl]phenoxy]ethanoate

Systemtic Name: hexan-2-yl 2-[4-[2-(2-oxidanylidene-4-piperidin-4-yl-piperazin-1-yl)ethanoyl]phenoxy]ethanoate Openeye Name: 1-methylpentyl 2-[4-[2-[2-oxo-4-(4-piperidyl)piperazin-1-yl]acetyl]phenoxy]acetate CAS Name: 2-[4-[1-oxo-2-[2-oxo-4-(4-piperidinyl)-1-piperazinyl]ethyl]phenoxy]acetic acid hexan-2-yl ester IUPAC Name: hexan-2-yl 2-[4-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetate Traditional Name: 2-[4-[2-[2-keto-4-(4-piperidyl)piperazino]acetyl]phenoxy]acetic acid 1-methylpentyl ester Formula: C25H37N3O5 MolecularWeight: 459.57838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC(=O)COC1=CC=C(C=C1)C(=O)CN2CCN(CC2=O)C3CCNCC3

Isomeric SMILES

CCCCC(C)OC(=O)COC1=CC=C(C=C1)C(=O)CN2CCN(CC2=O)C3CCNCC3

InChI

InChI=1S/C25H37N3O5/c1-3-4-5-19(2)33-25(31)18-32-22-8-6-20(7-9-22)23(29)16-28-15-14-27(17-24(28)30)21-10-12-26-13-11-21/h6-9,19,21,26H,3-5,10-18H2,1-2H3