2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(1-phenylbenzimidazol-2-yl)propanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(1-phenylbenzimidazol-2-yl)propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(1-phenylbenzimidazol-2-yl)propanoate CAS Name: 3-(1-phenyl-2-benzimidazolyl)propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(1-phenylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-phenylbenzimidazol-2-yl)propionic acid 2-phthalimidoethyl ester Formula: C26H21N3O4 MolecularWeight: 439.46264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2CCC(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2CCC(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H21N3O4/c30-24(33-17-16-28-25(31)19-10-4-5-11-20(19)26(28)32)15-14-23-27-21-12-6-7-13-22(21)29(23)18-8-2-1-3-9-18/h1-13H,14-17H2