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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-phenylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic 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] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C28H20N2O4 MolecularWeight: 448.4694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C=C(C#N)C(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)/C=C(\C#N)/C(=O)NCC4=CC=CO4

InChI

InChI=1S/C28H20N2O4/c29-18-24(27(31)30-19-26-7-4-16-33-26)17-20-8-14-25(15-9-20)34-28(32)23-12-10-22(11-13-23)21-5-2-1-3-6-21/h1-17H,19H2,(H,30,31)/b24-17+