[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-(4-tert-butylphenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3

InChI

InChI=1S/C27H26N2O5/c1-27(2,3)21-8-12-22(13-9-21)33-18-25(30)34-23-10-6-19(7-11-23)15-20(16-28)26(31)29-17-24-5-4-14-32-24/h4-15H,17-18H2,1-3H3,(H,29,31)/b20-15+