azetidine; tert-butyl N-aminocarbonyl-N-[(4-chloranyl-2-methyl-phenyl)methyl]carbamate

Systemtic Name: azetidine; tert-butyl N-aminocarbonyl-N-[(4-chloranyl-2-methyl-phenyl)methyl]carbamate Openeye Name: azetidine; tert-butyl N-carbamoyl-N-[(4-chloro-2-methyl-phenyl)methyl]carbamate CAS Name: azetidine; N-carbamoyl-N-[(4-chloro-2-methylphenyl)methyl]carbamic acid tert-butyl ester IUPAC Name: azetidine; tert-butyl N-carbamoyl-N-[(4-chloro-2-methylphenyl)methyl]carbamate Traditional Name: azetidine; N-carbamoyl-N-(4-chloro-2-methyl-benzyl)carbamic acid tert-butyl ester Formula: C17H26ClN3O3 MolecularWeight: 355.85964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)CN(C(=O)N)C(=O)OC(C)(C)C.C1CNC1

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)CN(C(=O)N)C(=O)OC(C)(C)C.C1CNC1

InChI

InChI=1S/C14H19ClN2O3.C3H7N/c1-9-7-11(15)6-5-10(9)8-17(12(16)18)13(19)20-14(2,3)4;1-2-4-3-1/h5-7H,8H2,1-4H3,(H2,16,18);4H,1-3H2