3-cyanopropyl 2-phenylquinoline-4-carboxylate

Systemtic Name: 3-cyanopropyl 2-phenylquinoline-4-carboxylate Openeye Name: 3-cyanopropyl 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid 3-cyanopropyl ester Formula: C20H16N2O2 MolecularWeight: 316.35324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O2/c21-12-6-7-13-24-20(23)17-14-19(15-8-2-1-3-9-15)22-18-11-5-4-10-16(17)18/h1-5,8-11,14H,6-7,13H2