phenacyl 3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: phenacyl 3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: phenacyl 3-[(4-chlorophenyl)methylene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: 3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid phenacyl ester IUPAC Name: phenacyl 3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: 3-(4-chlorobenzylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid phenacyl ester Formula: C28H20ClNO3 MolecularWeight: 453.9163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C3N=C2C1=CC4=CC=C(C=C4)Cl)C(=O)OCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C3N=C2C1=CC4=CC=C(C=C4)Cl)C(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H20ClNO3/c29-21-13-10-18(11-14-21)16-20-12-15-23-26(22-8-4-5-9-24(22)30-27(20)23)28(32)33-17-25(31)19-6-2-1-3-7-19/h1-11,13-14,16H,12,15,17H2