2-[[[(2R)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]methyl]benzoic acid

Systemtic Name: 2-[[[(2R)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]methyl]benzoic acid Openeye Name: 2-[[[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]methyl]benzoic acid CAS Name: 2-[[[(2R)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]methyl]benzoic acid IUPAC Name: 2-[[[(2R)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]methyl]benzoic acid Traditional Name: 2-[[[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]methyl]benzoic acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CN[C@H](CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)O

InChI

InChI=1S/C19H18N2O4/c22-18(23)15-7-2-1-5-12(15)10-21-17(19(24)25)9-13-11-20-16-8-4-3-6-14(13)16/h1-8,11,17,20-21H,9-10H2,(H,22,23)(H,24,25)/t17-/m1/s1