methyl 4-[[(4-methoxycarbonyl-3-oxidanyl-phenyl)methylamino]methyl]-2-oxidanyl-benzoate hydrochloride

Systemtic Name: methyl 4-[[(4-methoxycarbonyl-3-oxidanyl-phenyl)methylamino]methyl]-2-oxidanyl-benzoate hydrochloride Openeye Name: methyl 2-hydroxy-4-[[(3-hydroxy-4-methoxycarbonyl-phenyl)methylamino]methyl]benzoate hydrochloride CAS Name: 2-hydroxy-4-[[(3-hydroxy-4-methoxycarbonylphenyl)methylamino]methyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-hydroxy-4-[[(3-hydroxy-4-methoxycarbonylphenyl)methylamino]methyl]benzoate hydrochloride Traditional Name: 4-[[(4-carbomethoxy-3-hydroxy-benzyl)amino]methyl]-2-hydroxy-benzoic acid methyl ester hydrochloride Formula: C18H20ClNO6 MolecularWeight: 381.8075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)CNCC2=CC(=C(C=C2)C(=O)OC)O)O.Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)CNCC2=CC(=C(C=C2)C(=O)OC)O)O.Cl

InChI

InChI=1S/C18H19NO6.ClH/c1-24-17(22)13-5-3-11(7-15(13)20)9-19-10-12-4-6-14(16(21)8-12)18(23)25-2;/h3-8,19-21H,9-10H2,1-2H3;1H