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

Systemtic Name: phenacyl 3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: phenacyl 3-[(3,4-dimethoxyphenyl)methylene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: 3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid phenacyl ester IUPAC Name: phenacyl 3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: 3-veratrylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid phenacyl ester Formula: C30H25NO5 MolecularWeight: 479.5232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2CCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC(=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2CCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C30H25NO5/c1-34-26-15-12-19(17-27(26)35-2)16-21-13-14-23-28(22-10-6-7-11-24(22)31-29(21)23)30(33)36-18-25(32)20-8-4-3-5-9-20/h3-12,15-17H,13-14,18H2,1-2H3