N-(3-ethanoylphenyl)-6-ethyl-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: N-(3-ethanoylphenyl)-6-ethyl-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-(3-acetylphenyl)-6-ethyl-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-(3-acetylphenyl)-6-ethyl-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(3-acetylphenyl)-6-ethyl-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-(3-acetylphenyl)-6-ethyl-1-keto-3-methyl-isochroman-3-carboxamide Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H21NO4/c1-4-14-8-9-18-16(10-14)12-21(3,26-19(18)24)20(25)22-17-7-5-6-15(11-17)13(2)23/h5-11H,4,12H2,1-3H3,(H,22,25)