(1-methylpiperidin-3-yl)methyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate

Systemtic Name: (1-methylpiperidin-3-yl)methyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate Openeye Name: (1-methyl-3-piperidyl)methyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoic acid (1-methyl-3-piperidinyl)methyl ester IUPAC Name: (1-methylpiperidin-3-yl)methyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate Traditional Name: 2-[4-(4-chlorobenzyl)phenoxy]-2-methyl-butyric acid (1-methyl-3-piperidyl)methyl ester Formula: C25H32ClNO3 MolecularWeight: 429.97948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)OCC1CCCN(C1)C)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)(C(=O)OCC1CCCN(C1)C)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H32ClNO3/c1-4-25(2,24(28)29-18-21-6-5-15-27(3)17-21)30-23-13-9-20(10-14-23)16-19-7-11-22(26)12-8-19/h7-14,21H,4-6,15-18H2,1-3H3