(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-cyanobenzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-cyanobenzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC(=C3)C#N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC(=C3)C#N)C(C)C

InChI

InChI=1S/C22H19NO4/c1-13(2)18-10-19-17(9-21(24)27-20(19)7-14(18)3)12-26-22(25)16-6-4-5-15(8-16)11-23/h4-10,13H,12H2,1-3H3