4,5-bis(chloranyl)-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]benzoic acid

Systemtic Name: 4,5-bis(chloranyl)-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]benzoic acid Openeye Name: 4,5-dichloro-2-[[4-(4-pyridylmethyl)phenyl]carbamoyl]benzoic acid CAS Name: 4,5-dichloro-2-[oxo-[4-(pyridin-4-ylmethyl)anilino]methyl]benzoic acid IUPAC Name: 4,5-dichloro-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]benzoic acid Traditional Name: 4,5-dichloro-2-[[4-(4-pyridylmethyl)phenyl]carbamoyl]benzoic acid Formula: C20H14Cl2N2O3 MolecularWeight: 401.24276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)C3=CC(=C(C=C3C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)C3=CC(=C(C=C3C(=O)O)Cl)Cl

InChI

InChI=1S/C20H14Cl2N2O3/c21-17-10-15(16(20(26)27)11-18(17)22)19(25)24-14-3-1-12(2-4-14)9-13-5-7-23-8-6-13/h1-8,10-11H,9H2,(H,24,25)(H,26,27)