N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-2-methyl-propan-1-amine hydrochloride

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-2-methyl-propan-1-amine hydrochloride Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]-2-methyl-propan-1-amine hydrochloride CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-1-propanamine hydrochloride IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-methylpropan-1-amine hydrochloride Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-isobutyl-amine hydrochloride Formula: C20H27BrClNO2 MolecularWeight: 428.79088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNCC(C)C)Br)OCC2=CC=CC=C2.Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNCC(C)C)Br)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C20H26BrNO2.ClH/c1-4-23-19-11-17(13-22-12-15(2)3)10-18(21)20(19)24-14-16-8-6-5-7-9-16;/h5-11,15,22H,4,12-14H2,1-3H3;1H