tert-butyl N-methyl-N-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]cyclohexyl]carbamate

Systemtic Name: tert-butyl N-methyl-N-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]cyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[(E)-N'-benzyloxycarbonylcarbamimidoyl]cyclohexyl]-N-methyl-carbamate CAS Name: N-[4-[(E)-amino(phenylmethoxycarbonylimino)methyl]cyclohexyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]cyclohexyl]carbamate Traditional Name: N-[4-[(E)-N'-carbobenzoxyamidino]cyclohexyl]-N-methyl-carbamic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1CCC(CC1)C(=NC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C1CCC(CC1)/C(=N\C(=O)OCC2=CC=CC=C2)/N

InChI

InChI=1S/C21H31N3O4/c1-21(2,3)28-20(26)24(4)17-12-10-16(11-13-17)18(22)23-19(25)27-14-15-8-6-5-7-9-15/h5-9,16-17H,10-14H2,1-4H3,(H2,22,23,25)