(1-cyanoindolizin-2-yl)methyl 3-methylbenzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-methylbenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H14N2O2 MolecularWeight: 290.31596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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