tert-butyl N-[(E)-[3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methylideneamino]carbamate

Systemtic Name: tert-butyl N-[(E)-[3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methylideneamino]carbamate Openeye Name: tert-butyl N-[(E)-[3-ethoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]methyleneamino]carbamate CAS Name: N-[(E)-[3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]methylideneamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]carbamate Traditional Name: N-[(E)-[3-ethoxy-4-(2-keto-2-piperidino-ethoxy)benzylidene]amino]carbamic acid tert-butyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)OC(C)(C)C)OCC(=O)N2CCCCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)OC(C)(C)C)OCC(=O)N2CCCCC2

InChI

InChI=1S/C21H31N3O5/c1-5-27-18-13-16(14-22-23-20(26)29-21(2,3)4)9-10-17(18)28-15-19(25)24-11-7-6-8-12-24/h9-10,13-14H,5-8,11-12,15H2,1-4H3,(H,23,26)/b22-14+