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

Systemtic Name: (3S)-1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate Openeye Name: (3S)-1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)nipecotate Formula: C17H16N3O3- MolecularWeight: 310.32724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCC(C3)C(=O)[O-])OC4=CC=CC=C42

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCC[C@@H](C3)C(=O)[O-])OC4=CC=CC=C42

InChI

InChI=1S/C17H17N3O3/c1-10-18-14-12-6-2-3-7-13(12)23-15(14)16(19-10)20-8-4-5-11(9-20)17(21)22/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,21,22)/p-1/t11-/m0/s1