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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

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