[2-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate

Systemtic Name: [2-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate Openeye Name: [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [2-[(3-cyano-4,5-diphenyl-2-furanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C28H22N2O4 MolecularWeight: 450.48528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C28H22N2O4/c1-18-13-14-22(19(2)15-18)28(32)33-17-24(31)30-27-23(16-29)25(20-9-5-3-6-10-20)26(34-27)21-11-7-4-8-12-21/h3-15H,17H2,1-2H3,(H,30,31)