2-[(2-bromanyl-4-cyclopentyloxy-5-ethoxy-phenyl)methylamino]butan-1-ol hydrochloride

Systemtic Name: 2-[(2-bromanyl-4-cyclopentyloxy-5-ethoxy-phenyl)methylamino]butan-1-ol hydrochloride Openeye Name: 2-[[2-bromo-4-(cyclopentoxy)-5-ethoxy-phenyl]methylamino]butan-1-ol hydrochloride CAS Name: 2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]-1-butanol hydrochloride IUPAC Name: 2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol hydrochloride Traditional Name: 2-[[2-bromo-4-(cyclopentoxy)-5-ethoxy-benzyl]amino]butan-1-ol hydrochloride Formula: C18H29BrClNO3 MolecularWeight: 422.78476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=CC(=C(C=C1Br)OC2CCCC2)OCC.Cl

Isomeric SMILES

CCC(CO)NCC1=CC(=C(C=C1Br)OC2CCCC2)OCC.Cl

InChI

InChI=1S/C18H28BrNO3.ClH/c1-3-14(12-21)20-11-13-9-17(22-4-2)18(10-16(13)19)23-15-7-5-6-8-15;/h9-10,14-15,20-21H,3-8,11-12H2,1-2H3;1H