(phenylmethyl) 4-[(E)-7-methoxy-5,7-bis(oxidanylidene)hept-3-enyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(E)-7-methoxy-5,7-bis(oxidanylidene)hept-3-enyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[(E)-7-methoxy-5,7-dioxo-hept-3-enyl]piperazine-1-carboxylate CAS Name: 4-[(E)-7-methoxy-5,7-dioxohept-3-enyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(E)-7-methoxy-5,7-dioxohept-3-enyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-5,7-diketo-7-methoxy-hept-3-enyl]piperazine-1-carboxylic acid benzyl ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)C=CCCN1CCN(CC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC(=O)/C=C/CCN1CCN(CC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O5/c1-26-19(24)15-18(23)9-5-6-10-21-11-13-22(14-12-21)20(25)27-16-17-7-3-2-4-8-17/h2-5,7-9H,6,10-16H2,1H3/b9-5+