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

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

C1CC1C(=O)N(CC2=C(C=CC(=C2)NC(=O)OCC3=CC=CC=C3)Cl)C4CCC(CC4)N

Isomeric SMILES

C1CC1C(=O)N(CC2=C(C=CC(=C2)NC(=O)OCC3=CC=CC=C3)Cl)C4CCC(CC4)N

InChI

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