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

Systemtic Name: 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)isonipecotic acid Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC(=NC3=C2OC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC(=NC3=C2OC4=CC=CC=C43)C5=CC=CC=C5

InChI

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