(N,N'-dicyclohexylcarbamimidoyl) 3-methylbenzoate

Systemtic Name: (N,N'-dicyclohexylcarbamimidoyl) 3-methylbenzoate Openeye Name: (N,N'-dicyclohexylcarbamimidoyl) 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(cyclohexylamino)-cyclohexyliminomethyl] ester IUPAC Name: (N,N'-dicyclohexylcarbamimidoyl) 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (N,N'-dicyclohexylamidino) ester Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC(=NC2CCCCC2)NC3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC(=NC2CCCCC2)NC3CCCCC3

InChI

InChI=1S/C21H30N2O2/c1-16-9-8-10-17(15-16)20(24)25-21(22-18-11-4-2-5-12-18)23-19-13-6-3-7-14-19/h8-10,15,18-19H,2-7,11-14H2,1H3,(H,22,23)