3-[[4-(4-phenylsulfanylbutoxy)phenyl]methylamino]cyclopentane-1,1-dicarboxylic acid hydrochloride

Systemtic Name: 3-[[4-(4-phenylsulfanylbutoxy)phenyl]methylamino]cyclopentane-1,1-dicarboxylic acid hydrochloride Openeye Name: 3-[[4-(4-phenylsulfanylbutoxy)phenyl]methylamino]cyclopentane-1,1-dicarboxylic acid hydrochloride CAS Name: 3-[[4-[4-(phenylthio)butoxy]phenyl]methylamino]cyclopentane-1,1-dicarboxylic acid hydrochloride IUPAC Name: 3-[[4-(4-phenylsulfanylbutoxy)phenyl]methylamino]cyclopentane-1,1-dicarboxylic acid hydrochloride Traditional Name: 3-[[4-[4-(phenylthio)butoxy]benzyl]amino]cyclopentane-1,1-dicarboxylic acid hydrochloride Formula: C24H30ClNO5S MolecularWeight: 480.0167

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1NCC2=CC=C(C=C2)OCCCCSC3=CC=CC=C3)(C(=O)O)C(=O)O.Cl

Isomeric SMILES

C1CC(CC1NCC2=CC=C(C=C2)OCCCCSC3=CC=CC=C3)(C(=O)O)C(=O)O.Cl

InChI

InChI=1S/C24H29NO5S.ClH/c26-22(27)24(23(28)29)13-12-19(16-24)25-17-18-8-10-20(11-9-18)30-14-4-5-15-31-21-6-2-1-3-7-21;/h1-3,6-11,19,25H,4-5,12-17H2,(H,26,27)(H,28,29);1H