ethyl 8-methyl-4-oxidanyl-7-oxidanylidene-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate

Systemtic Name: ethyl 8-methyl-4-oxidanyl-7-oxidanylidene-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: ethyl 4-hydroxy-8-methyl-7-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 4-hydroxy-8-methyl-7-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydro-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-8-methyl-7-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 4-hydroxy-7-keto-8-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2CCC(=O)C(C2O1)C)O)C3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C2CCC(=O)C(C2O1)C)O)C3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5/c1-3-28-21(27)19-16(17(26)14-9-10-15(25)12(2)18(14)29-19)20-23-22-11-24(20)13-7-5-4-6-8-13/h4-8,11-12,18,26H,3,9-10H2,1-2H3