tert-butyl N-[(3-fluorophenyl)methyl]carbamate; 2-[(phenylmethyl)amino]propanamide

Systemtic Name: tert-butyl N-[(3-fluorophenyl)methyl]carbamate; 2-[(phenylmethyl)amino]propanamide Openeye Name: 2-(benzylamino)propanamide; tert-butyl N-[(3-fluorophenyl)methyl]carbamate CAS Name: N-[(3-fluorophenyl)methyl]carbamic acid tert-butyl ester; 2-[(phenylmethyl)amino]propanamide IUPAC Name: 2-(benzylamino)propanamide; tert-butyl N-[(3-fluorophenyl)methyl]carbamate Traditional Name: 2-(benzylamino)propionamide; N-(3-fluorobenzyl)carbamic acid tert-butyl ester Formula: C22H30FN3O3 MolecularWeight: 403.490303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NCC1=CC=CC=C1.CC(C)(C)OC(=O)NCC1=CC(=CC=C1)F

Isomeric SMILES

CC(C(=O)N)NCC1=CC=CC=C1.CC(C)(C)OC(=O)NCC1=CC(=CC=C1)F

InChI

InChI=1S/C12H16FNO2.C10H14N2O/c1-12(2,3)16-11(15)14-8-9-5-4-6-10(13)7-9;1-8(10(11)13)12-7-9-5-3-2-4-6-9/h4-7H,8H2,1-3H3,(H,14,15);2-6,8,12H,7H2,1H3,(H2,11,13)