6-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-6-pyridin-3-yl-hexanoic acid

Systemtic Name: 6-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-6-pyridin-3-yl-hexanoic acid Openeye Name: 6-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-6-(3-pyridyl)hexanoic acid CAS Name: 6-(2,5-dimethoxy-3,4,6-trimethylphenyl)-6-(3-pyridinyl)hexanoic acid IUPAC Name: 6-(2,5-dimethoxy-3,4,6-trimethylphenyl)-6-pyridin-3-ylhexanoic acid Traditional Name: 6-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-6-(3-pyridyl)hexanoic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC)C)C(CCCCC(=O)O)C2=CN=CC=C2)OC)C

Isomeric SMILES

CC1=C(C(=C(C(=C1OC)C)C(CCCCC(=O)O)C2=CN=CC=C2)OC)C

InChI

InChI=1S/C22H29NO4/c1-14-15(2)22(27-5)20(16(3)21(14)26-4)18(10-6-7-11-19(24)25)17-9-8-12-23-13-17/h8-9,12-13,18H,6-7,10-11H2,1-5H3,(H,24,25)