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

Systemtic Name: methyl N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]carbamate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chlorophenyl]carbamate Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]carbamic acid methyl ester Formula: C22H32ClN3O3 MolecularWeight: 421.96078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCC(CC2)N)C(=O)C3CCCCC3

Isomeric SMILES

COC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCC(CC2)N)C(=O)C3CCCCC3

InChI

InChI=1S/C22H32ClN3O3/c1-29-22(28)25-18-9-12-20(23)16(13-18)14-26(19-10-7-17(24)8-11-19)21(27)15-5-3-2-4-6-15/h9,12-13,15,17,19H,2-8,10-11,14,24H2,1H3,(H,25,28)