2-phenyl-3-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methylamino]piperidine-1-carboxylic acid

Systemtic Name: 2-phenyl-3-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methylamino]piperidine-1-carboxylic acid Openeye Name: 2-phenyl-3-[(5-pyrimidin-5-ylbenzofuran-7-yl)methylamino]piperidine-1-carboxylic acid CAS Name: 2-phenyl-3-[[5-(5-pyrimidinyl)-7-benzofuranyl]methylamino]-1-piperidinecarboxylic acid IUPAC Name: 2-phenyl-3-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methylamino]piperidine-1-carboxylic acid Traditional Name: 2-phenyl-3-[[5-(5-pyrimidyl)benzofuran-7-yl]methylamino]piperidine-1-carboxylic acid Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=O)O)C2=CC=CC=C2)NCC3=C4C(=CC(=C3)C5=CN=CN=C5)C=CO4

Isomeric SMILES

C1CC(C(N(C1)C(=O)O)C2=CC=CC=C2)NCC3=C4C(=CC(=C3)C5=CN=CN=C5)C=CO4

InChI

InChI=1S/C25H24N4O3/c30-25(31)29-9-4-7-22(23(29)17-5-2-1-3-6-17)28-15-20-12-19(21-13-26-16-27-14-21)11-18-8-10-32-24(18)20/h1-3,5-6,8,10-14,16,22-23,28H,4,7,9,15H2,(H,30,31)