(7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: (7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC3=C4CCC(=NC(=O)C)CC4OC(=C3)O

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC3=C4CCC(=NC(=O)C)CC4OC(=C3)O

InChI

InChI=1S/C23H23N3O5/c1-14-9-10-24-26(14)19-6-3-16(4-7-19)23(29)30-13-17-11-22(28)31-21-12-18(25-15(2)27)5-8-20(17)21/h3-4,6-7,9-11,21,28H,5,8,12-13H2,1-2H3