[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate

Systemtic Name: [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate Openeye Name: [(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N2O3/c1-14(25-20(24)17-10-8-15(13-21)9-11-17)19(23)22-12-4-6-16-5-2-3-7-18(16)22/h2-3,5,7-11,14H,4,6,12H2,1H3/t14-/m1/s1