butyl 2-[(2S)-1-[2-(4-chloranyl-2-methyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[(2S)-1-[2-(4-chloranyl-2-methyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-1-[2-(4-chloro-2-methyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-1-[2-(4-chloro-2-methylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[2-(4-chloro-2-methyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C19H25ClN2O5 MolecularWeight: 396.8652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C19H25ClN2O5/c1-3-4-9-26-18(24)11-15-19(25)21-7-8-22(15)17(23)12-27-16-6-5-14(20)10-13(16)2/h5-6,10,15H,3-4,7-9,11-12H2,1-2H3,(H,21,25)/t15-/m0/s1