2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate; pyridin-3-ylmethylazanium

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate; pyridin-3-ylmethylazanium Openeye Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate; 3-pyridylmethylammonium CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate; 3-pyridinylmethylammonium IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate; pyridin-3-ylmethylazanium Traditional Name: 2-[4-(4-chlorobenzyl)phenoxy]-2-methyl-butyrate; 3-pyridylmethylammonium 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.C1=CC(=CN=C1)C[NH3+]

Isomeric SMILES

CCC(C)(C(=O)[O-])OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl.C1=CC(=CN=C1)C[NH3+]

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;7-4-6-2-1-3-8-5-6/h4-11H,3,12H2,1-2H3,(H,20,21);1-3,5H,4,7H2