(3S)-4-ethyl-3-(3-oxidanylidene-1H-isoindol-2-yl)hexanoate

Systemtic Name: (3S)-4-ethyl-3-(3-oxidanylidene-1H-isoindol-2-yl)hexanoate Openeye Name: (3S)-4-ethyl-3-(1-oxoisoindolin-2-yl)hexanoate CAS Name: (3S)-4-ethyl-3-(3-oxo-1H-isoindol-2-yl)hexanoate IUPAC Name: (3S)-4-ethyl-3-(3-oxo-1H-isoindol-2-yl)hexanoate Traditional Name: (3S)-4-ethyl-3-(1-ketoisoindolin-2-yl)hexanoate Formula: C16H20NO3- MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CC(=O)[O-])N1CC2=CC=CC=C2C1=O

Isomeric SMILES

CCC(CC)[C@H](CC(=O)[O-])N1CC2=CC=CC=C2C1=O

InChI

InChI=1S/C16H21NO3/c1-3-11(4-2)14(9-15(18)19)17-10-12-7-5-6-8-13(12)16(17)20/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,19)/p-1/t14-/m0/s1