[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H16ClNO3 MolecularWeight: 365.80964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H16ClNO3/c1-14(21(25)17-7-3-9-18(22)13-17)26-19(24)11-10-16-6-2-5-15-8-4-12-23-20(15)16/h2-14H,1H3/b11-10+