(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)CN4C=NC=N4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)CN4C=NC=N4)C

InChI

InChI=1S/C22H19N3O4/c1-14-7-19-18(9-21(26)29-20(19)8-15(14)2)11-28-22(27)17-5-3-16(4-6-17)10-25-13-23-12-24-25/h3-9,12-13H,10-11H2,1-2H3