methyl 2-[(E)-but-1-enyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl 2-[(E)-but-1-enyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxylate Openeye Name: methyl 2-[(E)-but-1-enyl]-1-(3-pyridylmethyl)pyrrolidine-2-carboxylate CAS Name: 2-[(E)-but-1-enyl]-1-(3-pyridinylmethyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-but-1-enyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxylate Traditional Name: 2-[(E)-but-1-enyl]-1-(3-pyridylmethyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C16H22N2O2 MolecularWeight: 274.35808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1(CCCN1CC2=CN=CC=C2)C(=O)OC

Isomeric SMILES

CC/C=C/C1(CCCN1CC2=CN=CC=C2)C(=O)OC

InChI

InChI=1S/C16H22N2O2/c1-3-4-8-16(15(19)20-2)9-6-11-18(16)13-14-7-5-10-17-12-14/h4-5,7-8,10,12H,3,6,9,11,13H2,1-2H3/b8-4+