2-oxidanyl-4-[2-(phenylmethoxycarbonylamino)propanoylamino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[2-(phenylmethoxycarbonylamino)propanoylamino]benzoic acid Openeye Name: 4-[2-(benzyloxycarbonylamino)propanoylamino]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-4-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[2-(phenylmethoxycarbonylamino)propanoylamino]benzoic acid Traditional Name: 4-[2-(benzyloxycarbonylamino)propanoylamino]-2-hydroxy-benzoic acid Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C(=O)O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C(=O)O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O6/c1-11(19-18(25)26-10-12-5-3-2-4-6-12)16(22)20-13-7-8-14(17(23)24)15(21)9-13/h2-9,11,21H,10H2,1H3,(H,19,25)(H,20,22)(H,23,24)