methyl (2R)-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylpiperidine-2-carboxylate

Systemtic Name: methyl (2R)-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylpiperidine-2-carboxylate Openeye Name: methyl (2R)-1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]piperidine-2-carboxylate CAS Name: (2R)-1-[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[1-[(E)-3-phenylacryloyl]isonipecotoyl]pipecolinic acid methyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1C(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1CCCCN1C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4/c1-28-22(27)19-9-5-6-14-24(19)21(26)18-12-15-23(16-13-18)20(25)11-10-17-7-3-2-4-8-17/h2-4,7-8,10-11,18-19H,5-6,9,12-16H2,1H3/b11-10+/t19-/m1/s1