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

Systemtic Name: (3R)-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(2-pyrimidinyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(2-pyrimidyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C14H12N3O2- MolecularWeight: 254.26398

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C3=NC=CC=N3)C(=O)[O-]

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)C3=NC=CC=N3)C(=O)[O-]

InChI

InChI=1S/C14H13N3O2/c18-13(19)12-8-10-4-1-2-5-11(10)9-17(12)14-15-6-3-7-16-14/h1-7,12H,8-9H2,(H,18,19)/p-1/t12-/m1/s1