2-(3-carbamimidoylphenoxy)ethyl 1-pyridin-4-ylpiperidine-4-carboxylate

Systemtic Name: 2-(3-carbamimidoylphenoxy)ethyl 1-pyridin-4-ylpiperidine-4-carboxylate Openeye Name: 2-(3-carbamimidoylphenoxy)ethyl 1-(4-pyridyl)piperidine-4-carboxylate CAS Name: 1-pyridin-4-yl-4-piperidinecarboxylic acid 2-(3-carbamimidoylphenoxy)ethyl ester IUPAC Name: 2-(3-carbamimidoylphenoxy)ethyl 1-pyridin-4-ylpiperidine-4-carboxylate Traditional Name: 1-(4-pyridyl)isonipecotic acid 2-(3-amidinophenoxy)ethyl ester Formula: C20H24N4O3 MolecularWeight: 368.42956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCOC2=CC=CC(=C2)C(=N)N)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCCOC2=CC=CC(=C2)C(=N)N)C3=CC=NC=C3

InChI

InChI=1S/C20H24N4O3/c21-19(22)16-2-1-3-18(14-16)26-12-13-27-20(25)15-6-10-24(11-7-15)17-4-8-23-9-5-17/h1-5,8-9,14-15H,6-7,10-13H2,(H3,21,22)