tert-butyl 4-[2-[[4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[[4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-[(E)-3-ethoxy-3-oxo-prop-1-enyl]anilino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]anilino]-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]anilino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[(E)-3-ethoxy-3-keto-prop-1-enyl]anilino]-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31N3O5/c1-5-29-20(27)11-8-17-6-9-18(10-7-17)23-19(26)16-24-12-14-25(15-13-24)21(28)30-22(2,3)4/h6-11H,5,12-16H2,1-4H3,(H,23,26)/b11-8+