(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-cyanophenyl)benzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-cyanophenyl)benzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C26H19NO4 MolecularWeight: 409.43336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3C4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3C4=CC=CC=C4C#N)C

InChI

InChI=1S/C26H19NO4/c1-16-11-23-19(13-25(28)31-24(23)12-17(16)2)15-30-26(29)22-10-6-5-9-21(22)20-8-4-3-7-18(20)14-27/h3-13H,15H2,1-2H3