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

Systemtic Name: 4-chloranyl-3-[5-[[[(2S)-2-oxidanyl-2-phenyl-ethyl]azaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 4-chloro-3-[5-[[[(2S)-2-hydroxy-2-phenyl-ethyl]ammonio]methyl]-2-furyl]benzoate CAS Name: 4-chloro-3-[5-[[[(2S)-2-hydroxy-2-phenylethyl]ammonio]methyl]-2-furanyl]benzoate IUPAC Name: 4-chloro-3-[5-[[[(2S)-2-hydroxy-2-phenylethyl]azaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 4-chloro-3-[5-[[[(2S)-2-hydroxy-2-phenyl-ethyl]ammonio]methyl]-2-furyl]benzoate Formula: C20H18ClNO4 MolecularWeight: 371.81422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO4/c21-17-8-6-14(20(24)25)10-16(17)19-9-7-15(26-19)11-22-12-18(23)13-4-2-1-3-5-13/h1-10,18,22-23H,11-12H2,(H,24,25)/t18-/m1/s1