ethyl 2-[4-[[3-chloranyl-7-(3-oxidanylidene-1H-isoindol-2-yl)-2-propyl-benzimidazol-5-yl]methyl]phenoxy]-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[4-[[3-chloranyl-7-(3-oxidanylidene-1H-isoindol-2-yl)-2-propyl-benzimidazol-5-yl]methyl]phenoxy]-2-phenyl-ethanoate Openeye Name: ethyl 2-[4-[[3-chloro-7-(1-oxoisoindolin-2-yl)-2-propyl-benzimidazol-5-yl]methyl]phenoxy]-2-phenyl-acetate CAS Name: 2-[4-[[3-chloro-7-(3-oxo-1H-isoindol-2-yl)-2-propyl-5-benzimidazolyl]methyl]phenoxy]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[3-chloro-7-(3-oxo-1H-isoindol-2-yl)-2-propylbenzimidazol-5-yl]methyl]phenoxy]-2-phenylacetate Traditional Name: 2-[4-[[3-chloro-7-(1-ketoisoindolin-2-yl)-2-propyl-benzimidazol-5-yl]methyl]phenoxy]-2-phenyl-acetic acid ethyl ester Formula: C35H32ClN3O4 MolecularWeight: 594.09928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1Cl)C=C(C=C2N3CC4=CC=CC=C4C3=O)CC5=CC=C(C=C5)OC(C6=CC=CC=C6)C(=O)OCC

Isomeric SMILES

CCCC1=NC2=C(N1Cl)C=C(C=C2N3CC4=CC=CC=C4C3=O)CC5=CC=C(C=C5)OC(C6=CC=CC=C6)C(=O)OCC

InChI

InChI=1S/C35H32ClN3O4/c1-3-10-31-37-32-29(38-22-26-13-8-9-14-28(26)34(38)40)20-24(21-30(32)39(31)36)19-23-15-17-27(18-16-23)43-33(35(41)42-4-2)25-11-6-5-7-12-25/h5-9,11-18,20-21,33H,3-4,10,19,22H2,1-2H3