(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanamide

Systemtic Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanamide Openeye Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxoisoindolin-2-yl)-3-phenyl-propanamide CAS Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide IUPAC Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide Traditional Name: (2S)-N-homoveratryl-2-(1-ketoisoindolin-2-yl)-3-phenyl-propionamide Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)[C@H](CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C27H28N2O4/c1-32-24-13-12-20(17-25(24)33-2)14-15-28-26(30)23(16-19-8-4-3-5-9-19)29-18-21-10-6-7-11-22(21)27(29)31/h3-13,17,23H,14-16,18H2,1-2H3,(H,28,30)/t23-/m0/s1