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

Systemtic Name: 3-methylbutyl 2-[1-(2,4-diethoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(2,4-diethoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(2,4-diethoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(2,4-diethoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2,4-diethoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C)OCC

InChI

InChI=1S/C22H32N2O6/c1-5-28-16-7-8-17(19(13-16)29-6-2)22(27)24-11-10-23-21(26)18(24)14-20(25)30-12-9-15(3)4/h7-8,13,15,18H,5-6,9-12,14H2,1-4H3,(H,23,26)