tert-butyl [4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] carbonate

Systemtic Name: tert-butyl [4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] carbonate Openeye Name: [4-[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [4-[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] tert-butyl carbonate Traditional Name: carbonic acid [4-[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] tert-butyl ester Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C23H24N2O5/c1-23(2,3)30-22(27)29-19-11-10-17(13-20(19)28-4)12-18(14-24)21(26)25-15-16-8-6-5-7-9-16/h5-13H,15H2,1-4H3,(H,25,26)/b18-12+