(N,N'-dicyclohexylcarbamimidoyl) 2-benzamidoethanoate

Systemtic Name: (N,N'-dicyclohexylcarbamimidoyl) 2-benzamidoethanoate Openeye Name: (N,N'-dicyclohexylcarbamimidoyl) 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [(cyclohexylamino)-cyclohexyliminomethyl] ester IUPAC Name: (N,N'-dicyclohexylcarbamimidoyl) 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid (N,N'-dicyclohexylamidino) ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H31N3O3/c26-20(16-23-21(27)17-10-4-1-5-11-17)28-22(24-18-12-6-2-7-13-18)25-19-14-8-3-9-15-19/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H,23,27)(H,24,25)