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

Systemtic Name: pyridin-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-pentanoate hydrochloride Openeye Name: 3-pyridylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-pentanoate hydrochloride CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpentanoic acid 3-pyridinylmethyl ester hydrochloride IUPAC Name: pyridin-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpentanoate hydrochloride Traditional Name: 2-[4-(4-chlorobenzyl)phenoxy]-2-methyl-valeric acid 3-pyridylmethyl ester hydrochloride Formula: C25H27Cl2NO3 MolecularWeight: 460.39278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)OCC1=CN=CC=C1)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl.Cl

Isomeric SMILES

CCCC(C)(C(=O)OCC1=CN=CC=C1)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl.Cl

InChI

InChI=1S/C25H26ClNO3.ClH/c1-3-14-25(2,24(28)29-18-21-5-4-15-27-17-21)30-23-12-8-20(9-13-23)16-19-6-10-22(26)11-7-19;/h4-13,15,17H,3,14,16,18H2,1-2H3;1H