3-cyanopropyl (3E)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: 3-cyanopropyl (3E)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: 3-cyanopropyl (3E)-3-[(4-methoxyphenyl)methylene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: (3E)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (3E)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: (3E)-3-p-anisylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid 3-cyanopropyl ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2CCC3=C(C4=CC=CC=C4N=C23)C(=O)OCCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/2\CCC3=C(C4=CC=CC=C4N=C23)C(=O)OCCCC#N

InChI

InChI=1S/C25H22N2O3/c1-29-19-11-8-17(9-12-19)16-18-10-13-21-23(25(28)30-15-5-4-14-26)20-6-2-3-7-22(20)27-24(18)21/h2-3,6-9,11-12,16H,4-5,10,13,15H2,1H3/b18-16+