ethyl 2-cyano-2-(1-propan-2-ylisoquinolin-5-yl)propanoate

Systemtic Name: ethyl 2-cyano-2-(1-propan-2-ylisoquinolin-5-yl)propanoate Openeye Name: ethyl 2-cyano-2-(1-isopropyl-5-isoquinolyl)propanoate CAS Name: 2-cyano-2-(1-propan-2-yl-5-isoquinolinyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(1-propan-2-ylisoquinolin-5-yl)propanoate Traditional Name: 2-cyano-2-(1-isopropyl-5-isoquinolyl)propionic acid ethyl ester Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C#N)C1=CC=CC2=C1C=CN=C2C(C)C

Isomeric SMILES

CCOC(=O)C(C)(C#N)C1=CC=CC2=C1C=CN=C2C(C)C

InChI

InChI=1S/C18H20N2O2/c1-5-22-17(21)18(4,11-19)15-8-6-7-14-13(15)9-10-20-16(14)12(2)3/h6-10,12H,5H2,1-4H3