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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-(aminocarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(1H-indol-3-yl)-2-ureido-propanoate CAS Name: 2-(carbamoylamino)-3-(1H-indol-3-yl)propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(carbamoylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-ureido-propionic acid 2-phthalimidoethyl ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)N

InChI

InChI=1S/C22H20N4O5/c23-22(30)25-18(11-13-12-24-17-8-4-3-5-14(13)17)21(29)31-10-9-26-19(27)15-6-1-2-7-16(15)20(26)28/h1-8,12,18,24H,9-11H2,(H3,23,25,30)