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

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]butan-2-amine hydrochloride Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]butan-2-amine hydrochloride CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-butanamine hydrochloride IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]butan-2-amine hydrochloride Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-sec-butyl-amine hydrochloride Formula: C20H27BrClNO2 MolecularWeight: 428.79088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrNO2.ClH/c1-4-15(3)22-13-17-11-18(21)20(19(12-17)23-5-2)24-14-16-9-7-6-8-10-16;/h6-12,15,22H,4-5,13-14H2,1-3H3;1H