(3R)-2-(4-cyanophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-(4-cyanophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-(4-cyanophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(4-cyanophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-(4-cyanophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(4-cyanophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C17H13N2O2- MolecularWeight: 277.29732

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C3=CC=C(C=C3)C#N)C(=O)[O-]

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)C3=CC=C(C=C3)C#N)C(=O)[O-]

InChI

InChI=1S/C17H14N2O2/c18-10-12-5-7-15(8-6-12)19-11-14-4-2-1-3-13(14)9-16(19)17(20)21/h1-8,16H,9,11H2,(H,20,21)/p-1/t16-/m1/s1