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

Systemtic Name: phenacyl (3E)-3-[(4-tert-butylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: phenacyl (3E)-3-[(4-tert-butylphenyl)methylene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: (3E)-3-[(4-tert-butylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid phenacyl ester IUPAC Name: phenacyl (3E)-3-[(4-tert-butylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: (3E)-3-(4-tert-butylbenzylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid phenacyl ester Formula: C32H29NO3 MolecularWeight: 475.57756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2CCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/2\CCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H29NO3/c1-32(2,3)24-16-13-21(14-17-24)19-23-15-18-26-29(25-11-7-8-12-27(25)33-30(23)26)31(35)36-20-28(34)22-9-5-4-6-10-22/h4-14,16-17,19H,15,18,20H2,1-3H3/b23-19+