4-[[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methylamino]methyl]benzoic acid hydrochloride

Systemtic Name: 4-[[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methylamino]methyl]benzoic acid hydrochloride Openeye Name: 4-[[(3-chloro-4-ethoxy-5-methoxy-phenyl)methylamino]methyl]benzoic acid hydrochloride CAS Name: 4-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]benzoic acid hydrochloride IUPAC Name: 4-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]benzoic acid hydrochloride Traditional Name: 4-[[(3-chloro-4-ethoxy-5-methoxy-benzyl)amino]methyl]benzoic acid hydrochloride Formula: C18H21Cl2NO4 MolecularWeight: 386.26964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)CNCC2=CC=C(C=C2)C(=O)O)OC.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)CNCC2=CC=C(C=C2)C(=O)O)OC.Cl

InChI

InChI=1S/C18H20ClNO4.ClH/c1-3-24-17-15(19)8-13(9-16(17)23-2)11-20-10-12-4-6-14(7-5-12)18(21)22;/h4-9,20H,3,10-11H2,1-2H3,(H,21,22);1H