3-cyanopropyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: 3-cyanopropyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: 3-cyanopropyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid 3-cyanopropyl ester Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCCCC#N

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCCCC#N

InChI

InChI=1S/C17H18N2O2/c1-3-14-12(2)16(17(20)21-11-7-6-10-18)13-8-4-5-9-15(13)19-14/h4-5,8-9H,3,6-7,11H2,1-2H3