(3S)-3-methyl-1-oxidanylidene-N-[2-(propylcarbamoyl)phenyl]-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-3-methyl-1-oxidanylidene-N-[2-(propylcarbamoyl)phenyl]-4H-isochromene-3-carboxamide Openeye Name: (3S)-3-methyl-1-oxo-N-[2-(propylcarbamoyl)phenyl]isochromane-3-carboxamide CAS Name: (3S)-3-methyl-1-oxo-N-[2-[oxo(propylamino)methyl]phenyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-3-methyl-1-oxo-N-[2-(propylcarbamoyl)phenyl]-4H-isochromene-3-carboxamide Traditional Name: (3S)-1-keto-3-methyl-N-[2-(propylcarbamoyl)phenyl]isochroman-3-carboxamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)[C@@]2(CC3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C21H22N2O4/c1-3-12-22-18(24)16-10-6-7-11-17(16)23-20(26)21(2)13-14-8-4-5-9-15(14)19(25)27-21/h4-11H,3,12-13H2,1-2H3,(H,22,24)(H,23,26)/t21-/m0/s1