tert-butyl 4-[(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H29ClN2O5 MolecularWeight: 424.91836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN2O5/c1-6-28-19-16(22)13-15(14-17(19)27-5)7-8-18(25)23-9-11-24(12-10-23)20(26)29-21(2,3)4/h7-8,13-14H,6,9-12H2,1-5H3/b8-7+