3-(2-aminophenyl)-2-(1,3-benzodioxol-5-yl)propanoic acid

Systemtic Name: 3-(2-aminophenyl)-2-(1,3-benzodioxol-5-yl)propanoic acid Openeye Name: 3-(2-aminophenyl)-2-(1,3-benzodioxol-5-yl)propanoic acid CAS Name: 3-(2-aminophenyl)-2-(1,3-benzodioxol-5-yl)propanoic acid IUPAC Name: 3-(2-aminophenyl)-2-(1,3-benzodioxol-5-yl)propanoic acid Traditional Name: 3-(2-aminophenyl)-2-(1,3-benzodioxol-5-yl)propionic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC3=CC=CC=C3N)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC3=CC=CC=C3N)C(=O)O

InChI

InChI=1S/C16H15NO4/c17-13-4-2-1-3-11(13)7-12(16(18)19)10-5-6-14-15(8-10)21-9-20-14/h1-6,8,12H,7,9,17H2,(H,18,19)