3-[(1S)-1-(1H-indol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]-N-[(2R)-octan-2-yl]propanamide

Systemtic Name: 3-[(1S)-1-(1H-indol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]-N-[(2R)-octan-2-yl]propanamide Openeye Name: 3-[(1S)-1-(1H-indol-3-yl)-3-oxo-isoindolin-2-yl]-N-[(1R)-1-methylheptyl]propanamide CAS Name: 3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-[(2R)-octan-2-yl]propanamide IUPAC Name: 3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-[(2R)-octan-2-yl]propanamide Traditional Name: 3-[(1S)-1-(1H-indol-3-yl)-3-keto-isoindolin-2-yl]-N-[(1R)-1-methylheptyl]propionamide Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)CCN1C(C2=CC=CC=C2C1=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCCCCC[C@@H](C)NC(=O)CCN1[C@@H](C2=CC=CC=C2C1=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C27H33N3O2/c1-3-4-5-6-11-19(2)29-25(31)16-17-30-26(21-13-7-8-14-22(21)27(30)32)23-18-28-24-15-10-9-12-20(23)24/h7-10,12-15,18-19,26,28H,3-6,11,16-17H2,1-2H3,(H,29,31)/t19-,26+/m1/s1