(1-cyanoindolizin-2-yl)methyl 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-(2-amino-2-oxo-ethoxy)-3-methoxy-benzoate CAS Name: 4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)-3-methoxy-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)OCC(=O)N

InChI

InChI=1S/C20H17N3O5/c1-26-18-8-13(5-6-17(18)27-12-19(22)24)20(25)28-11-14-10-23-7-3-2-4-16(23)15(14)9-21/h2-8,10H,11-12H2,1H3,(H2,22,24)