methyl 2-[1-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(3-chloro-4-ethoxy-5-methoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-chloro-4-ethoxy-5-methoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C17H21ClN2O6 MolecularWeight: 384.81144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCNC(=O)C2CC(=O)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCNC(=O)C2CC(=O)OC)OC

InChI

InChI=1S/C17H21ClN2O6/c1-4-26-15-11(18)7-10(8-13(15)24-2)17(23)20-6-5-19-16(22)12(20)9-14(21)25-3/h7-8,12H,4-6,9H2,1-3H3,(H,19,22)