(2R)-3-(1H-indol-3-yl)-2-[[(2R)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]propanoate

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-[[(2R)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]propanoate Openeye Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxy-propyl]ammonio]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]ammonio]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxy-propyl]ammonio]-3-(1H-indol-3-yl)propionate Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C[NH2+]C(CC2=CNC3=CC=CC=C32)C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OC[C@@H](C[NH2+][C@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])O

InChI

InChI=1S/C20H22N2O4/c23-15(13-26-16-6-2-1-3-7-16)12-22-19(20(24)25)10-14-11-21-18-9-5-4-8-17(14)18/h1-9,11,15,19,21-23H,10,12-13H2,(H,24,25)/t15-,19-/m1/s1