2-[(2-bromanyl-5-methoxy-4-phenethyloxy-phenyl)methylamino]butan-1-ol hydrochloride

Systemtic Name: 2-[(2-bromanyl-5-methoxy-4-phenethyloxy-phenyl)methylamino]butan-1-ol hydrochloride Openeye Name: 2-[(2-bromo-5-methoxy-4-phenethyloxy-phenyl)methylamino]butan-1-ol hydrochloride CAS Name: 2-[(2-bromo-5-methoxy-4-phenethyloxyphenyl)methylamino]-1-butanol hydrochloride IUPAC Name: 2-[(2-bromo-5-methoxy-4-phenethyloxyphenyl)methylamino]butan-1-ol hydrochloride Traditional Name: 2-[(2-bromo-5-methoxy-4-phenethyloxy-benzyl)amino]butan-1-ol hydrochloride Formula: C20H27BrClNO3 MolecularWeight: 444.79028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=CC(=C(C=C1Br)OCCC2=CC=CC=C2)OC.Cl

Isomeric SMILES

CCC(CO)NCC1=CC(=C(C=C1Br)OCCC2=CC=CC=C2)OC.Cl

InChI

InChI=1S/C20H26BrNO3.ClH/c1-3-17(14-23)22-13-16-11-19(24-2)20(12-18(16)21)25-10-9-15-7-5-4-6-8-15;/h4-8,11-12,17,22-23H,3,9-10,13-14H2,1-2H3;1H