tert-butyl N-[[4-chloranyl-2-[(pyrrolidin-2-ylcarbonylamino)methyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-chloranyl-2-[(pyrrolidin-2-ylcarbonylamino)methyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-chloro-2-[(pyrrolidine-2-carbonylamino)methyl]phenyl]methyl]carbamate CAS Name: N-[[4-chloro-2-[[[oxo(2-pyrrolidinyl)methyl]amino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-chloro-2-[(pyrrolidine-2-carbonylamino)methyl]phenyl]methyl]carbamate Traditional Name: N-[4-chloro-2-[(prolylamino)methyl]benzyl]carbamic acid tert-butyl ester Formula: C18H26ClN3O3 MolecularWeight: 367.87034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=C(C=C1)Cl)CNC(=O)C2CCCN2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=C(C=C1)Cl)CNC(=O)C2CCCN2

InChI

InChI=1S/C18H26ClN3O3/c1-18(2,3)25-17(24)22-10-12-6-7-14(19)9-13(12)11-21-16(23)15-5-4-8-20-15/h6-7,9,15,20H,4-5,8,10-11H2,1-3H3,(H,21,23)(H,22,24)