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

Systemtic Name: (3S)-1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate Openeye Name: (3S)-1-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(2-ethyl-4-benzofuro[3,2-d]pyrimidinyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)nipecotate Formula: C18H18N3O3- MolecularWeight: 324.35382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)N3CCCC(C3)C(=O)[O-])OC4=CC=CC=C42

Isomeric SMILES

CCC1=NC2=C(C(=N1)N3CCC[C@@H](C3)C(=O)[O-])OC4=CC=CC=C42

InChI

InChI=1S/C18H19N3O3/c1-2-14-19-15-12-7-3-4-8-13(12)24-16(15)17(20-14)21-9-5-6-11(10-21)18(22)23/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,22,23)/p-1/t11-/m0/s1