3-methylbutyl 2-[3-oxidanylidene-1-(4-prop-2-enoxyphenyl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-(4-prop-2-enoxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(4-allyloxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(4-prop-2-enoxyphenyl)methyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-(4-prop-2-enoxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(4-allyloxybenzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5/c1-4-12-27-17-7-5-16(6-8-17)21(26)23-11-10-22-20(25)18(23)14-19(24)28-13-9-15(2)3/h4-8,15,18H,1,9-14H2,2-3H3,(H,22,25)