4-[(3-chloranyl-4,5-diethoxy-phenyl)methylamino]benzoate

Systemtic Name: 4-[(3-chloranyl-4,5-diethoxy-phenyl)methylamino]benzoate Openeye Name: 4-[(3-chloro-4,5-diethoxy-phenyl)methylamino]benzoate CAS Name: 4-[(3-chloro-4,5-diethoxyphenyl)methylamino]benzoate IUPAC Name: 4-[(3-chloro-4,5-diethoxyphenyl)methylamino]benzoate Traditional Name: 4-[(3-chloro-4,5-diethoxy-benzyl)amino]benzoate Formula: C18H19ClNO4- MolecularWeight: 348.80076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)C(=O)[O-])Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)C(=O)[O-])Cl)OCC

InChI

InChI=1S/C18H20ClNO4/c1-3-23-16-10-12(9-15(19)17(16)24-4-2)11-20-14-7-5-13(6-8-14)18(21)22/h5-10,20H,3-4,11H2,1-2H3,(H,21,22)/p-1