3-[2-[[(2-chloranyl-4-propoxy-phenyl)carbonylamino]methyl]pyridin-4-yl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[2-[[(2-chloranyl-4-propoxy-phenyl)carbonylamino]methyl]pyridin-4-yl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[2-[[(2-chloro-4-propoxy-benzoyl)amino]methyl]-4-pyridyl]-2-isopropoxy-propanoic acid CAS Name: 3-[2-[[[(2-chloro-4-propoxyphenyl)-oxomethyl]amino]methyl]-4-pyridinyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[2-[[(2-chloro-4-propoxybenzoyl)amino]methyl]pyridin-4-yl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[2-[[(2-chloro-4-propoxy-benzoyl)amino]methyl]-4-pyridyl]-2-isopropoxy-propionic acid Formula: C22H27ClN2O5 MolecularWeight: 434.91318

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C(=O)NCC2=NC=CC(=C2)CC(C(=O)O)OC(C)C)Cl

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C(=O)NCC2=NC=CC(=C2)CC(C(=O)O)OC(C)C)Cl

InChI

InChI=1S/C22H27ClN2O5/c1-4-9-29-17-5-6-18(19(23)12-17)21(26)25-13-16-10-15(7-8-24-16)11-20(22(27)28)30-14(2)3/h5-8,10,12,14,20H,4,9,11,13H2,1-3H3,(H,25,26)(H,27,28)