2-(3-carbamimidoylphenoxy)ethyl 4-methyl-1-pyridin-4-yl-piperidine-4-carboxylate

Systemtic Name: 2-(3-carbamimidoylphenoxy)ethyl 4-methyl-1-pyridin-4-yl-piperidine-4-carboxylate Openeye Name: 2-(3-carbamimidoylphenoxy)ethyl 4-methyl-1-(4-pyridyl)piperidine-4-carboxylate CAS Name: 4-methyl-1-pyridin-4-yl-4-piperidinecarboxylic acid 2-(3-carbamimidoylphenoxy)ethyl ester IUPAC Name: 2-(3-carbamimidoylphenoxy)ethyl 4-methyl-1-pyridin-4-ylpiperidine-4-carboxylate Traditional Name: 4-methyl-1-(4-pyridyl)isonipecotic acid 2-(3-amidinophenoxy)ethyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C2=CC=NC=C2)C(=O)OCCOC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC1(CCN(CC1)C2=CC=NC=C2)C(=O)OCCOC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H26N4O3/c1-21(7-11-25(12-8-21)17-5-9-24-10-6-17)20(26)28-14-13-27-18-4-2-3-16(15-18)19(22)23/h2-6,9-10,15H,7-8,11-14H2,1H3,(H3,22,23)