(1-cyanoindolizin-2-yl)methyl 4-methylbenzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-methylbenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H14N2O2 MolecularWeight: 290.31596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C18H14N2O2/c1-13-5-7-14(8-6-13)18(21)22-12-15-11-20-9-3-2-4-17(20)16(15)10-19/h2-9,11H,12H2,1H3