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

Systemtic Name: pyridin-2-ylmethyl (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: 2-pyridylmethyl (3E)-3-[(3,4-dimethoxyphenyl)methylene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: (3E)-3-veratrylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid 2-pyridylmethyl ester Formula: C28H24N2O4 MolecularWeight: 452.50116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2CCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC5=CC=CC=N5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\CCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC5=CC=CC=N5)OC

InChI

InChI=1S/C28H24N2O4/c1-32-24-13-10-18(16-25(24)33-2)15-19-11-12-22-26(21-8-3-4-9-23(21)30-27(19)22)28(31)34-17-20-7-5-6-14-29-20/h3-10,13-16H,11-12,17H2,1-2H3/b19-15+