pentyl 2-[1-[4-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-[4-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(4-isopentyloxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[4-(3-methylbutoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-[4-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-isoamoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O5/c1-4-5-6-14-30-21(26)16-20-22(27)24-12-13-25(20)23(28)18-7-9-19(10-8-18)29-15-11-17(2)3/h7-10,17,20H,4-6,11-16H2,1-3H3,(H,24,27)