3-[5-[[[(2S)-2-oxidanyl-2-phenyl-ethyl]azaniumyl]methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[[[(2S)-2-oxidanyl-2-phenyl-ethyl]azaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[[[(2S)-2-hydroxy-2-phenyl-ethyl]ammonio]methyl]-2-furyl]benzoate CAS Name: 3-[5-[[[(2S)-2-hydroxy-2-phenylethyl]ammonio]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[[[(2S)-2-hydroxy-2-phenylethyl]azaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[[[(2S)-2-hydroxy-2-phenyl-ethyl]ammonio]methyl]-2-furyl]benzoate Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C[NH2+]CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C[NH2+]CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-])O

InChI

InChI=1S/C20H19NO4/c22-18(14-5-2-1-3-6-14)13-21-12-17-9-10-19(25-17)15-7-4-8-16(11-15)20(23)24/h1-11,18,21-22H,12-13H2,(H,23,24)/t18-/m1/s1