3-[2-(3-phenylazanylphenoxy)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(3-phenylazanylphenoxy)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(3-anilinophenoxy)acetyl]amino]benzoic acid CAS Name: 3-[[2-(3-anilinophenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3-anilinophenoxy)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(3-anilinophenoxy)acetyl]amino]benzoic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC(=CC=C2)OCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC(=CC=C2)OCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H18N2O4/c24-20(23-17-9-4-6-15(12-17)21(25)26)14-27-19-11-5-10-18(13-19)22-16-7-2-1-3-8-16/h1-13,22H,14H2,(H,23,24)(H,25,26)