[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)C)C

InChI

InChI=1S/C26H29NO4/c1-18-15-20(3)23(16-19(18)2)24(28)17-31-26(30)22-11-13-27(14-12-22)25(29)10-9-21-7-5-4-6-8-21/h4-10,15-16,22H,11-14,17H2,1-3H3/b10-9+