butan-2-yl 2-[3-oxidanylidene-1-(3,4,5-trimethoxyphenyl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[3-oxidanylidene-1-(3,4,5-trimethoxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[3-oxo-1-(3,4,5-trimethoxybenzoyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[3-oxo-1-(3,4,5-trimethoxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(3,4,5-trimethoxybenzoyl)piperazin-2-yl]acetic acid sec-butyl ester Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C20H28N2O7/c1-6-12(2)29-17(23)11-14-19(24)21-7-8-22(14)20(25)13-9-15(26-3)18(28-5)16(10-13)27-4/h9-10,12,14H,6-8,11H2,1-5H3,(H,21,24)