N-(4-butylphenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: N-(4-butylphenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-(4-butylphenyl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-(4-butylphenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(4-butylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-(4-butylphenyl)-1-keto-3-methyl-isochroman-3-carboxamide Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C21H23NO3/c1-3-4-7-15-10-12-17(13-11-15)22-20(24)21(2)14-16-8-5-6-9-18(16)19(23)25-21/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,22,24)