N-(3-ethylphenyl)-4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: N-(3-ethylphenyl)-4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-(3-ethylphenyl)-4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-(3-ethylphenyl)-4-(5-methyl-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(3-ethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)-N-(3-ethylphenyl)butyramide Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)C

InChI

InChI=1S/C21H22N2O3/c1-3-15-6-4-7-16(13-15)22-19(24)8-5-11-23-20(25)17-10-9-14(2)12-18(17)21(23)26/h4,6-7,9-10,12-13H,3,5,8,11H2,1-2H3,(H,22,24)