(3S)-1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate Openeye Name: (3S)-1-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)nipecotate Formula: C22H18N3O3- MolecularWeight: 372.39662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=C2OC4=CC=CC=C43)C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC(=NC3=C2OC4=CC=CC=C43)C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C22H19N3O3/c26-22(27)15-9-6-12-25(13-15)21-19-18(16-10-4-5-11-17(16)28-19)23-20(24-21)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,26,27)/p-1/t15-/m0/s1