2-[(1S)-1-cyclohexylethyl]-3H-isoindol-1-one

Systemtic Name: 2-[(1S)-1-cyclohexylethyl]-3H-isoindol-1-one Openeye Name: 2-[(1S)-1-cyclohexylethyl]isoindolin-1-one CAS Name: 2-[(1S)-1-cyclohexylethyl]-3H-isoindol-1-one IUPAC Name: 2-[(1S)-1-cyclohexylethyl]-3H-isoindol-1-one Traditional Name: 2-[(1S)-1-cyclohexylethyl]isoindolin-1-one Formula: C16H21NO MolecularWeight: 243.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

C[C@@H](C1CCCCC1)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H21NO/c1-12(13-7-3-2-4-8-13)17-11-14-9-5-6-10-15(14)16(17)18/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3/t12-/m0/s1