(phenylmethyl) 4-[[(E)-1-oxidanylidene-5-phenyl-pent-4-en-2-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(E)-1-oxidanylidene-5-phenyl-pent-4-en-2-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[(E)-1-formyl-4-phenyl-but-3-enyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[[(E)-1-oxo-5-phenylpent-4-en-2-yl]amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(E)-1-oxo-5-phenylpent-4-en-2-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(E)-1-formyl-4-phenyl-but-3-enyl]carbamoyl]piperidine-1-carboxylic acid benzyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC=CC2=CC=CC=C2)C=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC(C/C=C/C2=CC=CC=C2)C=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4/c28-18-23(13-7-12-20-8-3-1-4-9-20)26-24(29)22-14-16-27(17-15-22)25(30)31-19-21-10-5-2-6-11-21/h1-12,18,22-23H,13-17,19H2,(H,26,29)/b12-7+