N-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]hexan-1-amine hydrochloride

Systemtic Name: N-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]hexan-1-amine hydrochloride Openeye Name: N-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl]hexan-1-amine hydrochloride CAS Name: N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-hexanamine hydrochloride IUPAC Name: N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]hexan-1-amine hydrochloride Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-hexyl-amine hydrochloride Formula: C21H29Cl2NO2 MolecularWeight: 398.36646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OC.Cl

Isomeric SMILES

CCCCCCNCC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OC.Cl

InChI

InChI=1S/C21H28ClNO2.ClH/c1-3-4-5-9-12-23-15-18-13-19(22)21(20(14-18)24-2)25-16-17-10-7-6-8-11-17;/h6-8,10-11,13-14,23H,3-5,9,12,15-16H2,1-2H3;1H