N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-(p-tolyl)isochromene-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylphenyl)-1-oxo-2-benzopyran-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide Traditional Name: 1-keto-N-piperonyl-4-(p-tolyl)isochromene-3-carboxamide Formula: C25H19NO5 MolecularWeight: 413.42206

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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)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H19NO5/c1-15-6-9-17(10-7-15)22-18-4-2-3-5-19(18)25(28)31-23(22)24(27)26-13-16-8-11-20-21(12-16)30-14-29-20/h2-12H,13-14H2,1H3,(H,26,27)