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

Systemtic Name: N-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-1-pyridin-4-yl-methanamine hydrochloride Openeye Name: N-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl]-1-(4-pyridyl)methanamine hydrochloride CAS Name: N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine hydrochloride IUPAC Name: N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine hydrochloride Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-(4-pyridylmethyl)amine hydrochloride Formula: C21H22Cl2N2O2 MolecularWeight: 405.31758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC2=CC=NC=C2)Cl)OCC3=CC=CC=C3.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC2=CC=NC=C2)Cl)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H21ClN2O2.ClH/c1-25-20-12-18(14-24-13-16-7-9-23-10-8-16)11-19(22)21(20)26-15-17-5-3-2-4-6-17;/h2-12,24H,13-15H2,1H3;1H