(2R)-2-(1,3-benzodioxol-5-ylcarbonylamino)-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-ylcarbonylamino)-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: (2R)-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2R)-3-(1H-indol-3-yl)-2-(piperonyloylamino)propionic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C19H16N2O5/c22-18(11-5-6-16-17(8-11)26-10-25-16)21-15(19(23)24)7-12-9-20-14-4-2-1-3-13(12)14/h1-6,8-9,15,20H,7,10H2,(H,21,22)(H,23,24)/t15-/m1/s1