[2-[3-(2-cyanoethyl)-2-methyl-indolizin-1-yl]-2-oxidanylidene-ethyl] 4-chloranylbenzoate

Systemtic Name: [2-[3-(2-cyanoethyl)-2-methyl-indolizin-1-yl]-2-oxidanylidene-ethyl] 4-chloranylbenzoate Openeye Name: [2-[3-(2-cyanoethyl)-2-methyl-indolizin-1-yl]-2-oxo-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[3-(2-cyanoethyl)-2-methyl-1-indolizinyl]-2-oxoethyl] ester IUPAC Name: [2-[3-(2-cyanoethyl)-2-methylindolizin-1-yl]-2-oxoethyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[3-(2-cyanoethyl)-2-methyl-indolizin-1-yl]-2-keto-ethyl] ester Formula: C21H17ClN2O3 MolecularWeight: 380.82428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C(=O)COC(=O)C3=CC=C(C=C3)Cl)CCC#N

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1C(=O)COC(=O)C3=CC=C(C=C3)Cl)CCC#N

InChI

InChI=1S/C21H17ClN2O3/c1-14-17(6-4-11-23)24-12-3-2-5-18(24)20(14)19(25)13-27-21(26)15-7-9-16(22)10-8-15/h2-3,5,7-10,12H,4,6,13H2,1H3