(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylate CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxylate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCCO5)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCCO5)C

InChI

InChI=1S/C25H22N2O6/c1-15-4-6-18-17(12-23(28)33-21(18)10-15)14-32-25(29)19-13-27(2)26-24(19)16-5-7-20-22(11-16)31-9-3-8-30-20/h4-7,10-13H,3,8-9,14H2,1-2H3