methyl 5-[[bis(3-chloranylpropyl)amino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[bis(3-chloranylpropyl)amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[bis(3-chloropropyl)amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[bis(3-chloropropyl)amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[bis(3-chloropropyl)amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[bis(3-chloropropyl)amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C16H23Cl2NO3 MolecularWeight: 348.26472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCCCl)CCCCl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCCCl)CCCCl)C(=O)OC

InChI

InChI=1S/C16H23Cl2NO3/c1-21-15-6-5-13(11-14(15)16(20)22-2)12-19(9-3-7-17)10-4-8-18/h5-6,11H,3-4,7-10,12H2,1-2H3