3-cyanopropyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 3-cyanopropyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: 3-cyanopropyl 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid 3-cyanopropyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3/c1-25-16-10-8-15(9-11-16)20-14-18(21(24)26-13-5-4-12-22)17-6-2-3-7-19(17)23-20/h2-3,6-11,14H,4-5,13H2,1H3