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

Systemtic Name: butyl 2-[(2S)-1-(2,4-dichlorophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-1-(2,4-dichlorobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(2,4-dichlorophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-1-(2,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(2,4-dichlorobenzoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C17H20Cl2N2O4 MolecularWeight: 387.2577

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H20Cl2N2O4/c1-2-3-8-25-15(22)10-14-16(23)20-6-7-21(14)17(24)12-5-4-11(18)9-13(12)19/h4-5,9,14H,2-3,6-8,10H2,1H3,(H,20,23)/t14-/m0/s1