(phenylmethyl) N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]carbamate Openeye Name: benzyl N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]carbamate CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]-4-chlorophenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chlorophenyl]carbamate Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]carbamic acid benzyl ester Formula: C28H36ClN3O3 MolecularWeight: 498.05674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)OCC3=CC=CC=C3)Cl)C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)OCC3=CC=CC=C3)Cl)C4CCC(CC4)N

InChI

InChI=1S/C28H36ClN3O3/c29-26-16-13-24(31-28(34)35-19-20-7-3-1-4-8-20)17-22(26)18-32(25-14-11-23(30)12-15-25)27(33)21-9-5-2-6-10-21/h1,3-4,7-8,13,16-17,21,23,25H,2,5-6,9-12,14-15,18-19,30H2,(H,31,34)