(2-cyanophenyl)methyl 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 2-cyclopropylquinoline-4-carboxylate Openeye Name: (2-cyanophenyl)methyl 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid (2-cyanobenzyl) ester Formula: C21H16N2O2 MolecularWeight: 328.36394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=CC=C4C#N

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C21H16N2O2/c22-12-15-5-1-2-6-16(15)13-25-21(24)18-11-20(14-9-10-14)23-19-8-4-3-7-17(18)19/h1-8,11,14H,9-10,13H2