(3S)-3-cyclohexyl-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoate

Systemtic Name: (3S)-3-cyclohexyl-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoate Openeye Name: (3S)-3-cyclohexyl-3-(1-oxoisoindolin-2-yl)propanoate CAS Name: (3S)-3-cyclohexyl-3-(3-oxo-1H-isoindol-2-yl)propanoate IUPAC Name: (3S)-3-cyclohexyl-3-(3-oxo-1H-isoindol-2-yl)propanoate Traditional Name: (3S)-3-cyclohexyl-3-(1-ketoisoindolin-2-yl)propionate Formula: C17H20NO3- MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)[O-])N2CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCC(CC1)[C@H](CC(=O)[O-])N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C17H21NO3/c19-16(20)10-15(12-6-2-1-3-7-12)18-11-13-8-4-5-9-14(13)17(18)21/h4-5,8-9,12,15H,1-3,6-7,10-11H2,(H,19,20)/p-1/t15-/m0/s1