pentyl 2-[1-[3-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-[3-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(3-isobutoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-(2-methylpropoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-[3-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-isobutoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OCC(C)C

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OCC(C)C

InChI

InChI=1S/C22H32N2O5/c1-4-5-6-12-28-20(25)14-19-21(26)23-10-11-24(19)22(27)17-8-7-9-18(13-17)29-15-16(2)3/h7-9,13,16,19H,4-6,10-12,14-15H2,1-3H3,(H,23,26)