3-(1-azanyl-3-oxidanylidene-3-phenylmethoxy-1-pyridin-4-yl-propoxy)-5-chloranyl-benzoic acid

Systemtic Name: 3-(1-azanyl-3-oxidanylidene-3-phenylmethoxy-1-pyridin-4-yl-propoxy)-5-chloranyl-benzoic acid Openeye Name: 3-[1-amino-3-benzyloxy-3-oxo-1-(4-pyridyl)propoxy]-5-chloro-benzoic acid CAS Name: 3-(1-amino-3-oxo-3-phenylmethoxy-1-pyridin-4-ylpropoxy)-5-chlorobenzoic acid IUPAC Name: 3-(1-amino-3-oxo-3-phenylmethoxy-1-pyridin-4-ylpropoxy)-5-chlorobenzoic acid Traditional Name: 3-[1-amino-3-benzoxy-3-keto-1-(4-pyridyl)propoxy]-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)CC(C2=CC=NC=C2)(N)OC3=CC(=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C2=CC=NC=C2)(N)OC3=CC(=CC(=C3)C(=O)O)Cl

InChI

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