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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-cyanophenyl)benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H17NO4 MolecularWeight: 395.40678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3C4=CC=CC=C4C#N

InChI

InChI=1S/C25H17NO4/c1-16-10-11-20-18(13-24(27)30-23(20)12-16)15-29-25(28)22-9-5-4-8-21(22)19-7-3-2-6-17(19)14-26/h2-13H,15H2,1H3