2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid 2-phthalimidoethyl ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H21N3O5/c1-14(27)25-20(12-15-13-24-19-9-5-4-6-16(15)19)23(30)31-11-10-26-21(28)17-7-2-3-8-18(17)22(26)29/h2-9,13,20,24H,10-12H2,1H3,(H,25,27)/t20-/m0/s1