3-pyridin-3-ylpropyl 1-(N'-cyclohexylcarbamimidoyl)pyrrolidine-2-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 1-(N'-cyclohexylcarbamimidoyl)pyrrolidine-2-carboxylate Openeye Name: 3-(3-pyridyl)propyl 1-(N'-cyclohexylcarbamimidoyl)pyrrolidine-2-carboxylate CAS Name: 1-[amino(cyclohexylimino)methyl]-2-pyrrolidinecarboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 1-(N'-cyclohexylcarbamimidoyl)pyrrolidine-2-carboxylate Traditional Name: 1-(N'-cyclohexylamidino)pyrrolidine-2-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C20H30N4O2 MolecularWeight: 358.4778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C(N)N2CCCC2C(=O)OCCCC3=CN=CC=C3

Isomeric SMILES

C1CCC(CC1)N=C(N)N2CCCC2C(=O)OCCCC3=CN=CC=C3

InChI

InChI=1S/C20H30N4O2/c21-20(23-17-9-2-1-3-10-17)24-13-5-11-18(24)19(25)26-14-6-8-16-7-4-12-22-15-16/h4,7,12,15,17-18H,1-3,5-6,8-11,13-14H2,(H2,21,23)