2-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol hydrochloride

Systemtic Name: 2-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol hydrochloride Openeye Name: 2-[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methylamino]butan-1-ol hydrochloride CAS Name: 2-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-butanol hydrochloride IUPAC Name: 2-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol hydrochloride Traditional Name: 2-[[3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-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(=C1)Br)OCC2=CC=C(C=C2)C)OC.Cl

Isomeric SMILES

CCC(CO)NCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OC.Cl

InChI

InChI=1S/C20H26BrNO3.ClH/c1-4-17(12-23)22-11-16-9-18(21)20(19(10-16)24-3)25-13-15-7-5-14(2)6-8-15;/h5-10,17,22-23H,4,11-13H2,1-3H3;1H