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

Systemtic Name: 3-cyanopropyl 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: 3-cyanopropyl 2-(2,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-4-quinolinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)cinchoninic acid 3-cyanopropyl ester Formula: C22H20N2O2 MolecularWeight: 344.4064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCCC#N)C

InChI

InChI=1S/C22H20N2O2/c1-15-9-10-17(16(2)13-15)21-14-19(22(25)26-12-6-5-11-23)18-7-3-4-8-20(18)24-21/h3-4,7-10,13-14H,5-6,12H2,1-2H3