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

Systemtic Name: pyridin-3-ylmethyl 2-[2-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate Openeye Name: 3-pyridylmethyl 2-[2-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate CAS Name: 2-[2-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 2-[2-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate Traditional Name: 2-[2-(4-chlorobenzyl)phenoxy]-2-methyl-butyric acid 3-pyridylmethyl ester Formula: C24H24ClNO3 MolecularWeight: 409.90526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)OCC1=CN=CC=C1)OC2=CC=CC=C2CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)(C(=O)OCC1=CN=CC=C1)OC2=CC=CC=C2CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H24ClNO3/c1-3-24(2,23(27)28-17-19-7-6-14-26-16-19)29-22-9-5-4-8-20(22)15-18-10-12-21(25)13-11-18/h4-14,16H,3,15,17H2,1-2H3