(2S)-2-(1,3-benzodioxol-4-ylcarbonylamino)-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-(1,3-benzodioxol-4-ylcarbonylamino)-3-phenyl-propanoic acid Openeye Name: (2S)-2-(1,3-benzodioxole-4-carbonylamino)-3-phenyl-propanoic acid CAS Name: (2S)-2-[[1,3-benzodioxol-4-yl(oxo)methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-(1,3-benzodioxole-4-carbonylamino)-3-phenylpropanoic acid Traditional Name: (2S)-2-(1,3-benzodioxole-4-carbonylamino)-3-phenyl-propionic acid Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H15NO5/c19-16(12-7-4-8-14-15(12)23-10-22-14)18-13(17(20)21)9-11-5-2-1-3-6-11/h1-8,13H,9-10H2,(H,18,19)(H,20,21)/t13-/m0/s1