5-chloranyl-3-ethoxy-2-[phenylmethoxycarbonyl(pyridin-4-yl)amino]benzoic acid

Systemtic Name: 5-chloranyl-3-ethoxy-2-[phenylmethoxycarbonyl(pyridin-4-yl)amino]benzoic acid Openeye Name: 2-[benzyloxycarbonyl(4-pyridyl)amino]-5-chloro-3-ethoxy-benzoic acid CAS Name: 5-chloro-3-ethoxy-2-[phenylmethoxycarbonyl(pyridin-4-yl)amino]benzoic acid IUPAC Name: 5-chloro-3-ethoxy-2-[phenylmethoxycarbonyl(pyridin-4-yl)amino]benzoic acid Traditional Name: 2-[carbobenzoxy(4-pyridyl)amino]-5-chloro-3-ethoxy-benzoic acid Formula: C22H19ClN2O5 MolecularWeight: 426.84966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)Cl)C(=O)O)N(C2=CC=NC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)Cl)C(=O)O)N(C2=CC=NC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H19ClN2O5/c1-2-29-19-13-16(23)12-18(21(26)27)20(19)25(17-8-10-24-11-9-17)22(28)30-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,26,27)