tert-butyl 4-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-chloro-4-ethoxy-5-methoxy-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(3-chloro-4-ethoxy-5-methoxyphenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperazine-1-carboxylate Traditional Name: 4-(3-chloro-4-ethoxy-5-methoxy-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H27ClN2O5 MolecularWeight: 398.88108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C19H27ClN2O5/c1-6-26-16-14(20)11-13(12-15(16)25-5)17(23)21-7-9-22(10-8-21)18(24)27-19(2,3)4/h11-12H,6-10H2,1-5H3