5-butyl-2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)benzoic acid

Systemtic Name: 5-butyl-2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)benzoic acid Openeye Name: 5-butyl-2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoic acid CAS Name: 5-butyl-2-(2-methylphenyl)-4-(3-pyridinyloxymethyl)benzoic acid IUPAC Name: 5-butyl-2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)benzoic acid Traditional Name: 5-butyl-2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoic acid Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)C(=O)O)C2=CC=CC=C2C)COC3=CN=CC=C3

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)C(=O)O)C2=CC=CC=C2C)COC3=CN=CC=C3

InChI

InChI=1S/C24H25NO3/c1-3-4-9-18-13-23(24(26)27)22(21-11-6-5-8-17(21)2)14-19(18)16-28-20-10-7-12-25-15-20/h5-8,10-15H,3-4,9,16H2,1-2H3,(H,26,27)