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

Systemtic Name: methyl N-[3-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]carbamate Openeye Name: methyl N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]carbamate CAS Name: N-[3-[[(2-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]-4-chlorophenyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chlorophenyl]carbamate Traditional Name: N-[3-[[(2-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(C2CCCCC2N)C(=O)C3CCCCC3

Isomeric SMILES

COC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCCCC2N)C(=O)C3CCCCC3

InChI

InChI=1S/C22H32ClN3O3/c1-29-22(28)25-17-11-12-18(23)16(13-17)14-26(20-10-6-5-9-19(20)24)21(27)15-7-3-2-4-8-15/h11-13,15,19-20H,2-10,14,24H2,1H3,(H,25,28)