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

Systemtic Name: [4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)phenyl] butanoate Openeye Name: [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenyl] butanoate CAS Name: butanoic acid [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)phenyl] ester IUPAC Name: [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenyl] butanoate Traditional Name: butyric acid [4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)phenyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N

InChI

InChI=1S/C22H24N2O4/c1-4-5-18(26)27-14-8-6-13(7-9-14)19-15(12-23)21(24)28-17-11-22(2,3)10-16(25)20(17)19/h6-9,19H,4-5,10-11,24H2,1-3H3