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

Systemtic Name: tert-butyl 4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(3-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)acryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C21H30N2O5/c1-6-27-18-15-16(7-9-17(18)26-5)8-10-19(24)22-11-13-23(14-12-22)20(25)28-21(2,3)4/h7-10,15H,6,11-14H2,1-5H3/b10-8+