ethyl 4-[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)furan-2-yl]benzoate Openeye Name: ethyl 4-[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-furyl]benzoate CAS Name: 4-[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)furan-2-yl]benzoate Traditional Name: 4-[5-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-furyl]benzoic acid ethyl ester Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N

InChI

InChI=1S/C25H24N2O5/c1-4-30-24(29)15-7-5-14(6-8-15)18-9-10-19(31-18)21-16(13-26)23(27)32-20-12-25(2,3)11-17(28)22(20)21/h5-10,21H,4,11-12,27H2,1-3H3