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

Systemtic Name: 3-cyanopropyl 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 3-cyanopropyl 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid 3-cyanopropyl ester Formula: C21H18N2O2 MolecularWeight: 330.37982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCCCC#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCCCC#N

InChI

InChI=1S/C21H18N2O2/c1-15-19(21(24)25-14-8-7-13-22)17-11-5-6-12-18(17)23-20(15)16-9-3-2-4-10-16/h2-6,9-12H,7-8,14H2,1H3