(2-methoxy-2-oxidanylidene-ethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]hexanoate hydrochloride

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]hexanoate hydrochloride Openeye Name: (2-methoxy-2-oxo-ethyl) 2-[4-(2-quinolylmethoxy)phenyl]hexanoate hydrochloride CAS Name: 2-[4-(2-quinolinylmethoxy)phenyl]hexanoic acid (2-methoxy-2-oxoethyl) ester hydrochloride IUPAC Name: (2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]hexanoate hydrochloride Traditional Name: 2-[4-(2-quinolylmethoxy)phenyl]hexanoic acid (2-keto-2-methoxy-ethyl) ester hydrochloride Formula: C25H28ClNO5 MolecularWeight: 457.94652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C(=O)OCC(=O)OC.Cl

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C(=O)OCC(=O)OC.Cl

InChI

InChI=1S/C25H27NO5.ClH/c1-3-4-8-22(25(28)31-17-24(27)29-2)18-11-14-21(15-12-18)30-16-20-13-10-19-7-5-6-9-23(19)26-20;/h5-7,9-15,22H,3-4,8,16-17H2,1-2H3;1H