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

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-(3-propoxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(3-propoxyphenyl)methyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(3-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(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

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