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

Systemtic Name: 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-1-ium-2-carboxylate Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3/c25-21(26)15-10-6-12-24(15)20-18-17(14-9-4-5-11-16(14)27-18)22-19(23-20)13-7-2-1-3-8-13/h1-5,7-9,11,15H,6,10,12H2,(H,25,26)