(phenylmethyl) 2-[(E)-4-oxidanylidenehept-2-enyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(E)-4-oxidanylidenehept-2-enyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(E)-4-oxohept-2-enyl]pyrrolidine-1-carboxylate CAS Name: 2-[(E)-4-oxohept-2-enyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(E)-4-oxohept-2-enyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(E)-4-ketohept-2-enyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C19H25NO3 MolecularWeight: 315.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C=CCC1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)/C=C/CC1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H25NO3/c1-2-8-18(21)13-6-11-17-12-7-14-20(17)19(22)23-15-16-9-4-3-5-10-16/h3-6,9-10,13,17H,2,7-8,11-12,14-15H2,1H3/b13-6+