4-azanylbutanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanamide

Systemtic Name: 4-azanylbutanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanamide Openeye Name: 4-aminobutanoic acid; 3-(3,4-dimethoxyphenyl)-3-(1-oxoisoindolin-2-yl)propanamide CAS Name: 4-aminobutanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide IUPAC Name: 4-aminobutanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: 4-aminobutyric acid; 3-(3,4-dimethoxyphenyl)-3-(1-ketoisoindolin-2-yl)propionamide Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)N)N2CC3=CC=CC=C3C2=O)OC.C(CC(=O)O)CN

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)N)N2CC3=CC=CC=C3C2=O)OC.C(CC(=O)O)CN

InChI

InChI=1S/C19H20N2O4.C4H9NO2/c1-24-16-8-7-12(9-17(16)25-2)15(10-18(20)22)21-11-13-5-3-4-6-14(13)19(21)23;5-3-1-2-4(6)7/h3-9,15H,10-11H2,1-2H3,(H2,20,22);1-3,5H2,(H,6,7)