2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoic acid; N-methylpyridin-3-amine

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoic acid; N-methylpyridin-3-amine Openeye Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoic acid; N-methylpyridin-3-amine CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoic acid; N-methyl-3-pyridinamine IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoic acid; N-methylpyridin-3-amine Traditional Name: 2-[4-(4-chlorobenzyl)phenoxy]-2-methyl-butyric acid; methyl(3-pyridyl)amine Formula: C24H27ClN2O3 MolecularWeight: 426.93578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl.CNC1=CN=CC=C1

Isomeric SMILES

CCC(C)(C(=O)O)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl.CNC1=CN=CC=C1

InChI

InChI=1S/C18H19ClO3.C6H8N2/c1-3-18(2,17(20)21)22-16-10-6-14(7-11-16)12-13-4-8-15(19)9-5-13;1-7-6-3-2-4-8-5-6/h4-11H,3,12H2,1-2H3,(H,20,21);2-5,7H,1H3