(1-cyanoindolizin-2-yl)methyl 2-[(2-chlorophenyl)carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(2-chlorophenyl)carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxy-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C26H20ClN3O5 MolecularWeight: 489.9071

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)NC(=O)C4=CC=CC=C4Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)NC(=O)C4=CC=CC=C4Cl)OC

InChI

InChI=1S/C26H20ClN3O5/c1-33-23-11-18(21(12-24(23)34-2)29-25(31)17-7-3-4-8-20(17)27)26(32)35-15-16-14-30-10-6-5-9-22(30)19(16)13-28/h3-12,14H,15H2,1-2H3,(H,29,31)