[3-(1-propylpiperidin-3-yl)phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate hydrochloride

Systemtic Name: [3-(1-propylpiperidin-3-yl)phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate hydrochloride Openeye Name: [3-(1-propyl-3-piperidyl)phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate hydrochloride CAS Name: 4-(2,2-dimethyl-1-oxopropoxy)benzoic acid [3-(1-propyl-3-piperidinyl)phenyl] ester hydrochloride IUPAC Name: [3-(1-propylpiperidin-3-yl)phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate hydrochloride Traditional Name: 4-pivaloyloxybenzoic acid [3-(1-propyl-3-piperidyl)phenyl] ester hydrochloride Formula: C26H34ClNO4 MolecularWeight: 460.00546

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC(C1)C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)OC(=O)C(C)(C)C.Cl

Isomeric SMILES

CCCN1CCCC(C1)C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)OC(=O)C(C)(C)C.Cl

InChI

InChI=1S/C26H33NO4.ClH/c1-5-15-27-16-7-9-21(18-27)20-8-6-10-23(17-20)30-24(28)19-11-13-22(14-12-19)31-25(29)26(2,3)4;/h6,8,10-14,17,21H,5,7,9,15-16,18H2,1-4H3;1H