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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-phenethylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic 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-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C30H24N2O4 MolecularWeight: 476.52256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OC3=CC=C(C=C3)C=C(C#N)C(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OC3=CC=C(C=C3)/C=C(\C#N)/C(=O)NCC4=CC=CO4

InChI

InChI=1S/C30H24N2O4/c31-20-25(29(33)32-21-27-10-6-18-35-27)19-23-13-16-26(17-14-23)36-30(34)28-11-5-4-9-24(28)15-12-22-7-2-1-3-8-22/h1-11,13-14,16-19H,12,15,21H2,(H,32,33)/b25-19+