(phenylmethyl) N-[3-[[(2-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]-4-chloranyl-phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[[(2-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]-4-chloranyl-phenyl]carbamate Openeye Name: benzyl N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]carbamate CAS Name: N-[3-[[(2-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]-4-chlorophenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]carbamate Traditional Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]carbamic acid benzyl ester Formula: C25H30ClN3O3 MolecularWeight: 455.977

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)OCC3=CC=CC=C3)Cl)C(=O)C4CC4

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)OCC3=CC=CC=C3)Cl)C(=O)C4CC4

InChI

InChI=1S/C25H30ClN3O3/c26-21-13-12-20(28-25(31)32-16-17-6-2-1-3-7-17)14-19(21)15-29(24(30)18-10-11-18)23-9-5-4-8-22(23)27/h1-3,6-7,12-14,18,22-23H,4-5,8-11,15-16,27H2,(H,28,31)