3-cyanopropyl 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: 3-cyanopropyl 2-propan-2-ylquinoline-4-carboxylate Openeye Name: 3-cyanopropyl 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid 3-cyanopropyl ester Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCCCC#N

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCCCC#N

InChI

InChI=1S/C17H18N2O2/c1-12(2)16-11-14(17(20)21-10-6-5-9-18)13-7-3-4-8-15(13)19-16/h3-4,7-8,11-12H,5-6,10H2,1-2H3