2-[[3-methoxy-4-(2-oxidanyl-2-phenyl-ethoxy)phenyl]methylamino]butan-1-ol hydrochloride

Systemtic Name: 2-[[3-methoxy-4-(2-oxidanyl-2-phenyl-ethoxy)phenyl]methylamino]butan-1-ol hydrochloride Openeye Name: 2-[[4-(2-hydroxy-2-phenyl-ethoxy)-3-methoxy-phenyl]methylamino]butan-1-ol hydrochloride CAS Name: 2-[[4-(2-hydroxy-2-phenylethoxy)-3-methoxyphenyl]methylamino]-1-butanol hydrochloride IUPAC Name: 2-[[4-(2-hydroxy-2-phenylethoxy)-3-methoxyphenyl]methylamino]butan-1-ol hydrochloride Traditional Name: 2-[[4-(2-hydroxy-2-phenyl-ethoxy)-3-methoxy-benzyl]amino]butan-1-ol hydrochloride Formula: C20H28ClNO4 MolecularWeight: 381.89362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=CC(=C(C=C1)OCC(C2=CC=CC=C2)O)OC.Cl

Isomeric SMILES

CCC(CO)NCC1=CC(=C(C=C1)OCC(C2=CC=CC=C2)O)OC.Cl

InChI

InChI=1S/C20H27NO4.ClH/c1-3-17(13-22)21-12-15-9-10-19(20(11-15)24-2)25-14-18(23)16-7-5-4-6-8-16;/h4-11,17-18,21-23H,3,12-14H2,1-2H3;1H