2-[(3-butyl-4,6-dimethoxy-4H-pyrimidin-2-yl)oxy]-6-chloranyl-benzoic acid

Systemtic Name: 2-[(3-butyl-4,6-dimethoxy-4H-pyrimidin-2-yl)oxy]-6-chloranyl-benzoic acid Openeye Name: 2-[(3-butyl-4,6-dimethoxy-4H-pyrimidin-2-yl)oxy]-6-chloro-benzoic acid CAS Name: 2-[(3-butyl-4,6-dimethoxy-4H-pyrimidin-2-yl)oxy]-6-chlorobenzoic acid IUPAC Name: 2-[(3-butyl-4,6-dimethoxy-4H-pyrimidin-2-yl)oxy]-6-chlorobenzoic acid Traditional Name: 2-[(3-butyl-4,6-dimethoxy-4H-pyrimidin-2-yl)oxy]-6-chloro-benzoic acid Formula: C17H21ClN2O5 MolecularWeight: 368.81204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C=C(N=C1OC2=C(C(=CC=C2)Cl)C(=O)O)OC)OC

Isomeric SMILES

CCCCN1C(C=C(N=C1OC2=C(C(=CC=C2)Cl)C(=O)O)OC)OC

InChI

InChI=1S/C17H21ClN2O5/c1-4-5-9-20-14(24-3)10-13(23-2)19-17(20)25-12-8-6-7-11(18)15(12)16(21)22/h6-8,10,14H,4-5,9H2,1-3H3,(H,21,22)