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

Systemtic Name: ethyl 6-ethyl-4-oxidanyl-7-oxidanylidene-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: ethyl 6-ethyl-4-hydroxy-7-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 6-ethyl-4-hydroxy-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 6-ethyl-4-hydroxy-7-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 6-ethyl-4-hydroxy-7-keto-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylic acid ethyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C(=C(OC2CC1=O)C(=O)OCC)C3=NN=CN3C4=CC=CC=C4)O

Isomeric SMILES

CCC1CC2=C(C(=C(OC2CC1=O)C(=O)OCC)C3=NN=CN3C4=CC=CC=C4)O

InChI

InChI=1S/C22H23N3O5/c1-3-13-10-15-17(11-16(13)26)30-20(22(28)29-4-2)18(19(15)27)21-24-23-12-25(21)14-8-6-5-7-9-14/h5-9,12-13,17,27H,3-4,10-11H2,1-2H3