(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic 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 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H22N2O5 MolecularWeight: 418.44188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O5/c1-14(2)19-12-20-17(11-23(28)31-21(20)10-15(19)3)13-30-24(29)16-4-6-18(7-5-16)26-22(27)8-9-25/h4-7,10-12,14H,8,13H2,1-3H3,(H,26,27)