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

Systemtic Name: (phenylmethyl) 6-[(E)-but-2-enoyl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate Openeye Name: benzyl 6-[(E)-but-2-enoyl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate CAS Name: 3-methyl-6-[(E)-1-oxobut-2-enyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[(E)-but-2-enoyl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate Traditional Name: 6-[(E)-but-2-enoyl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylic acid benzyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1=CCC(CN1C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

C/C=C/C(=O)C1=CCC(CN1C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C18H21NO3/c1-3-7-17(20)16-11-10-14(2)12-19(16)18(21)22-13-15-8-5-4-6-9-15/h3-9,11,14H,10,12-13H2,1-2H3/b7-3+