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

Systemtic Name: 3-methylbutyl 2-[1-(2,4-dichlorophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(2,4-dichlorobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(2,4-dichlorophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(2,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2,4-dichlorobenzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C18H22Cl2N2O4 MolecularWeight: 401.28428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22Cl2N2O4/c1-11(2)5-8-26-16(23)10-15-17(24)21-6-7-22(15)18(25)13-4-3-12(19)9-14(13)20/h3-4,9,11,15H,5-8,10H2,1-2H3,(H,21,24)