(phenylmethyl) 6-[(E)-but-2-enoyl]-4-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: (phenylmethyl) 6-[(E)-but-2-enoyl]-4-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylate Openeye Name: benzyl 6-[(E)-but-2-enoyl]-4-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylate CAS Name: 4-tert-butyl-6-[(E)-1-oxobut-2-enyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[(E)-but-2-enoyl]-4-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylate Traditional Name: 6-[(E)-but-2-enoyl]-4-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid benzyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1=CC(CCN1C(=O)OCC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

C/C=C/C(=O)C1=CC(CCN1C(=O)OCC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C21H27NO3/c1-5-9-19(23)18-14-17(21(2,3)4)12-13-22(18)20(24)25-15-16-10-7-6-8-11-16/h5-11,14,17H,12-13,15H2,1-4H3/b9-5+