N-butyl-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxamide

Systemtic Name: N-butyl-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxamide Openeye Name: N-butyl-1-oxo-4-(p-tolyl)isochromene-3-carboxamide CAS Name: N-butyl-4-(4-methylphenyl)-1-oxo-2-benzopyran-3-carboxamide IUPAC Name: N-butyl-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide Traditional Name: N-butyl-1-keto-4-(p-tolyl)isochromene-3-carboxamide Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)C1=C(C2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21NO3/c1-3-4-13-22-20(23)19-18(15-11-9-14(2)10-12-15)16-7-5-6-8-17(16)21(24)25-19/h5-12H,3-4,13H2,1-2H3,(H,22,23)