N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-oxo-4-(p-tolyl)isochromene-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)-1-oxo-2-benzopyran-3-carboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-keto-4-(p-tolyl)isochromene-3-carboxamide Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C26H21NO5/c1-16-10-12-17(13-11-16)23-19-6-2-3-7-20(19)26(29)32-24(23)25(28)27-14-18-15-30-21-8-4-5-9-22(21)31-18/h2-13,18H,14-15H2,1H3,(H,27,28)