(1-cyanoindolizin-2-yl)methyl 5-methyl-2-oxidanyl-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 5-methyl-2-oxidanyl-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O3/c1-12-5-6-17(21)14(8-12)18(22)23-11-13-10-20-7-3-2-4-16(20)15(13)9-19/h2-8,10,21H,11H2,1H3