[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-tert-butylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-tert-butylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCCOC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCCOC)OC

InChI

InChI=1S/C25H28N2O5/c1-25(2,3)20-9-7-18(8-10-20)24(29)32-21-11-6-17(15-22(21)31-5)14-19(16-26)23(28)27-12-13-30-4/h6-11,14-15H,12-13H2,1-5H3,(H,27,28)/b19-14+