N-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-1-pyridin-4-yl-methanamine hydrochloride

Systemtic Name: N-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-1-pyridin-4-yl-methanamine hydrochloride Openeye Name: N-[(4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl]-1-(4-pyridyl)methanamine hydrochloride CAS Name: N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine hydrochloride IUPAC Name: N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine hydrochloride Traditional Name: (4-benzoxy-3-chloro-5-ethoxy-benzyl)-(4-pyridylmethyl)amine hydrochloride Formula: C22H24Cl2N2O2 MolecularWeight: 419.34416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNCC2=CC=NC=C2)Cl)OCC3=CC=CC=C3.Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNCC2=CC=NC=C2)Cl)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C22H23ClN2O2.ClH/c1-2-26-21-13-19(15-25-14-17-8-10-24-11-9-17)12-20(23)22(21)27-16-18-6-4-3-5-7-18;/h3-13,25H,2,14-16H2,1H3;1H