(2,6-dimethylphenyl) 5-(2-azanyl-4-oxidanylidene-5-phenyl-furan-3-yl)-2-ethyl-benzoate

Systemtic Name: (2,6-dimethylphenyl) 5-(2-azanyl-4-oxidanylidene-5-phenyl-furan-3-yl)-2-ethyl-benzoate Openeye Name: (2,6-dimethylphenyl) 5-(2-amino-4-oxo-5-phenyl-3-furyl)-2-ethyl-benzoate CAS Name: 5-(2-amino-4-oxo-5-phenyl-3-furanyl)-2-ethylbenzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 5-(2-amino-4-oxo-5-phenylfuran-3-yl)-2-ethylbenzoate Traditional Name: 5-(2-amino-4-keto-5-phenyl-3-furyl)-2-ethyl-benzoic acid (2,6-dimethylphenyl) ester Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=C(OC(C2=O)C3=CC=CC=C3)N)C(=O)OC4=C(C=CC=C4C)C

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=C(OC(C2=O)C3=CC=CC=C3)N)C(=O)OC4=C(C=CC=C4C)C

InChI

InChI=1S/C27H25NO4/c1-4-18-13-14-20(15-21(18)27(30)32-24-16(2)9-8-10-17(24)3)22-23(29)25(31-26(22)28)19-11-6-5-7-12-19/h5-15,25H,4,28H2,1-3H3