methyl 5-[[(4-chlorophenyl)methylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(4-chlorophenyl)methylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(4-chlorophenyl)methylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[(4-chlorophenyl)methylamino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(4-chlorophenyl)methylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(4-chlorobenzyl)amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C17H18ClNO3 MolecularWeight: 319.78272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C17H18ClNO3/c1-21-16-8-5-13(9-15(16)17(20)22-2)11-19-10-12-3-6-14(18)7-4-12/h3-9,19H,10-11H2,1-2H3