tert-butyl N-[3-oxidanylidene-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]carbamate Openeye Name: tert-butyl N-[3-oxo-3-[[4-(3-pyridylmethoxy)phenyl]methylamino]propyl]carbamate CAS Name: N-[3-oxo-3-[[4-(3-pyridinylmethoxy)phenyl]methylamino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]carbamate Traditional Name: N-[3-keto-3-[[4-(3-pyridylmethoxy)benzyl]amino]propyl]carbamic acid tert-butyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)NCC1=CC=C(C=C1)OCC2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)NCC1=CC=C(C=C1)OCC2=CN=CC=C2

InChI

InChI=1S/C21H27N3O4/c1-21(2,3)28-20(26)23-12-10-19(25)24-14-16-6-8-18(9-7-16)27-15-17-5-4-11-22-13-17/h4-9,11,13H,10,12,14-15H2,1-3H3,(H,23,26)(H,24,25)