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

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-(3,4,5-trimethoxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O7/c1-13(2)6-9-30-18(24)12-15-20(25)22-7-8-23(15)21(26)14-10-16(27-3)19(29-5)17(11-14)28-4/h10-11,13,15H,6-9,12H2,1-5H3,(H,22,25)