(1-cyanoindolizin-2-yl)methyl 2-[2-[(4-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[2-[(4-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[2-(4-chloro-2-methoxy-anilino)-2-oxo-ethoxy]benzoate CAS Name: 2-[2-(4-chloro-2-methoxyanilino)-2-oxoethoxy]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[2-(4-chloro-2-methoxyanilino)-2-oxoethoxy]benzoate Traditional Name: 2-[2-(4-chloro-2-methoxy-anilino)-2-keto-ethoxy]benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C26H20ClN3O5 MolecularWeight: 489.9071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)NC(=O)COC2=CC=CC=C2C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)NC(=O)COC2=CC=CC=C2C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C26H20ClN3O5/c1-33-24-12-18(27)9-10-21(24)29-25(31)16-34-23-8-3-2-6-19(23)26(32)35-15-17-14-30-11-5-4-7-22(30)20(17)13-28/h2-12,14H,15-16H2,1H3,(H,29,31)