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

Systemtic Name: methyl N-[2-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]carbamate Openeye Name: methyl N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]carbamate CAS Name: N-[2-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]carbamate Traditional Name: N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]carbamic acid methyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC=CC=C1CN(C2CCC(CC2)N)C(=O)C3CCCCC3

Isomeric SMILES

COC(=O)NC1=CC=CC=C1CN(C2CCC(CC2)N)C(=O)C3CCCCC3

InChI

InChI=1S/C22H33N3O3/c1-28-22(27)24-20-10-6-5-9-17(20)15-25(19-13-11-18(23)12-14-19)21(26)16-7-3-2-4-8-16/h5-6,9-10,16,18-19H,2-4,7-8,11-15,23H2,1H3,(H,24,27)