2-chloranyl-4-[(2-ethanoyl-7-methoxy-1-benzofuran-4-yl)-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 2-chloranyl-4-[(2-ethanoyl-7-methoxy-1-benzofuran-4-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 4-[(2-acetyl-7-methoxy-benzofuran-4-yl)-(3-pyridylmethyl)amino]-2-chloro-benzoic acid CAS Name: 4-[(2-acetyl-7-methoxy-4-benzofuranyl)-(3-pyridinylmethyl)amino]-2-chlorobenzoic acid IUPAC Name: 4-[(2-acetyl-7-methoxy-1-benzofuran-4-yl)-(pyridin-3-ylmethyl)amino]-2-chlorobenzoic acid Traditional Name: 4-[(2-acetyl-7-methoxy-benzofuran-4-yl)-(3-pyridylmethyl)amino]-2-chloro-benzoic acid Formula: C24H19ClN2O5 MolecularWeight: 450.87106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=CC(=C2O1)OC)N(CC3=CN=CC=C3)C4=CC(=C(C=C4)C(=O)O)Cl

Isomeric SMILES

CC(=O)C1=CC2=C(C=CC(=C2O1)OC)N(CC3=CN=CC=C3)C4=CC(=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C24H19ClN2O5/c1-14(28)22-11-18-20(7-8-21(31-2)23(18)32-22)27(13-15-4-3-9-26-12-15)16-5-6-17(24(29)30)19(25)10-16/h3-12H,13H2,1-2H3,(H,29,30)