O5-(N,N'-dicyclohexylcarbamimidoyl) O1-(phenylmethyl) pentanedioate

Systemtic Name: O5-(N,N'-dicyclohexylcarbamimidoyl) O1-(phenylmethyl) pentanedioate Openeye Name: O1-benzyl O5-(N,N'-dicyclohexylcarbamimidoyl) pentanedioate CAS Name: pentanedioic acid O5-[(cyclohexylamino)-cyclohexyliminomethyl] ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 5-O-(N,N'-dicyclohexylcarbamimidoyl) pentanedioate Traditional Name: glutaric acid O1-benzyl ester O5-(N,N'-dicyclohexylamidino) ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H36N2O4/c28-23(30-19-20-11-4-1-5-12-20)17-10-18-24(29)31-25(26-21-13-6-2-7-14-21)27-22-15-8-3-9-16-22/h1,4-5,11-12,21-22H,2-3,6-10,13-19H2,(H,26,27)