[3-(2-azanyl-3-cyano-6-oxidanyl-4H-chromen-4-yl)-2,4,6-trimethyl-phenyl]methyl ethanoate

Systemtic Name: [3-(2-azanyl-3-cyano-6-oxidanyl-4H-chromen-4-yl)-2,4,6-trimethyl-phenyl]methyl ethanoate Openeye Name: [3-(2-amino-3-cyano-6-hydroxy-4H-chromen-4-yl)-2,4,6-trimethyl-phenyl]methyl acetate CAS Name: acetic acid [3-(2-amino-3-cyano-6-hydroxy-4H-1-benzopyran-4-yl)-2,4,6-trimethylphenyl]methyl ester IUPAC Name: [3-(2-amino-3-cyano-6-hydroxy-4H-chromen-4-yl)-2,4,6-trimethylphenyl]methyl acetate Traditional Name: acetic acid [3-(2-amino-3-cyano-6-hydroxy-4H-chromen-4-yl)-2,4,6-trimethyl-benzyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C2C3=C(C=CC(=C3)O)OC(=C2C#N)N)C)COC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C2C3=C(C=CC(=C3)O)OC(=C2C#N)N)C)COC(=O)C)C

InChI

InChI=1S/C22H22N2O4/c1-11-7-12(2)20(13(3)18(11)10-27-14(4)25)21-16-8-15(26)5-6-19(16)28-22(24)17(21)9-23/h5-8,21,26H,10,24H2,1-4H3