3-[3-[(2-chloranylpyridin-4-yl)amino]propanoylamino]benzoic acid

Systemtic Name: 3-[3-[(2-chloranylpyridin-4-yl)amino]propanoylamino]benzoic acid Openeye Name: 3-[3-[(2-chloro-4-pyridyl)amino]propanoylamino]benzoic acid CAS Name: 3-[[3-[(2-chloro-4-pyridinyl)amino]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-[(2-chloropyridin-4-yl)amino]propanoylamino]benzoic acid Traditional Name: 3-[3-[(2-chloro-4-pyridyl)amino]propanoylamino]benzoic acid Formula: C15H14ClN3O3 MolecularWeight: 319.74296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCNC2=CC(=NC=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCNC2=CC(=NC=C2)Cl)C(=O)O

InChI

InChI=1S/C15H14ClN3O3/c16-13-9-11(4-6-18-13)17-7-5-14(20)19-12-3-1-2-10(8-12)15(21)22/h1-4,6,8-9H,5,7H2,(H,17,18)(H,19,20)(H,21,22)