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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CCOC2=CC(=CC(=C2)C(=O)O)Cl)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CCOC2=CC(=CC(=C2)C(=O)O)Cl)C3=CC=NC=C3

InChI

InChI=1S/C22H19ClN2O5/c23-18-12-17(21(26)27)13-20(14-18)29-11-10-25(19-6-8-24-9-7-19)22(28)30-15-16-4-2-1-3-5-16/h1-9,12-14H,10-11,15H2,(H,26,27)