3-cyanopropyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 3-cyanopropyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: 3-cyanopropyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid 3-cyanopropyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCCC#N)OC

InChI

InChI=1S/C22H20N2O4/c1-26-20-10-9-15(13-21(20)27-2)19-14-17(22(25)28-12-6-5-11-23)16-7-3-4-8-18(16)24-19/h3-4,7-10,13-14H,5-6,12H2,1-2H3