(1-cyanoindolizin-2-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-15(2)13-27-20-8-7-16(10-21(20)26-3)22(25)28-14-17-12-24-9-5-4-6-19(24)18(17)11-23/h4-10,12,15H,13-14H2,1-3H3