3-methylbutyl 2-[3-oxidanylidene-1-(2-phenoxybutanoyl)piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-(2-phenoxybutanoyl)piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-(2-phenoxybutanoyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-(1-oxo-2-phenoxybutyl)-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-(2-phenoxybutanoyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(2-phenoxybutanoyl)piperazin-2-yl]acetic acid isoamyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCNC(=O)C1CC(=O)OCCC(C)C)OC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)N1CCNC(=O)C1CC(=O)OCCC(C)C)OC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O5/c1-4-18(28-16-8-6-5-7-9-16)21(26)23-12-11-22-20(25)17(23)14-19(24)27-13-10-15(2)3/h5-9,15,17-18H,4,10-14H2,1-3H3,(H,22,25)