(phenylmethyl) 4-[(E)-4-ethoxy-3-methyl-4-oxidanylidene-but-2-enyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(E)-4-ethoxy-3-methyl-4-oxidanylidene-but-2-enyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[(E)-4-ethoxy-3-methyl-4-oxo-but-2-enyl]piperidine-1-carboxylate CAS Name: 4-[(E)-4-ethoxy-3-methyl-4-oxobut-2-enyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(E)-4-ethoxy-3-methyl-4-oxobut-2-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-4-ethoxy-4-keto-3-methyl-but-2-enyl]piperidine-1-carboxylic acid benzyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)/C(=C/CC1CCN(CC1)C(=O)OCC2=CC=CC=C2)/C

InChI

InChI=1S/C20H27NO4/c1-3-24-19(22)16(2)9-10-17-11-13-21(14-12-17)20(23)25-15-18-7-5-4-6-8-18/h4-9,17H,3,10-15H2,1-2H3/b16-9+