(N,N'-dicyclohexylcarbamimidoyl) quinoline-2-carboxylate

Systemtic Name: (N,N'-dicyclohexylcarbamimidoyl) quinoline-2-carboxylate Openeye Name: (N,N'-dicyclohexylcarbamimidoyl) quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(cyclohexylamino)-cyclohexyliminomethyl] ester IUPAC Name: (N,N'-dicyclohexylcarbamimidoyl) quinoline-2-carboxylate Traditional Name: quinaldic acid (N,N'-dicyclohexylamidino) ester Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H29N3O2/c27-22(21-16-15-17-9-7-8-14-20(17)26-21)28-23(24-18-10-3-1-4-11-18)25-19-12-5-2-6-13-19/h7-9,14-16,18-19H,1-6,10-13H2,(H,24,25)