methyl 5-[bis(2-chloroethyl)aminomethyl]-2-(2-methylpropoxy)benzoate

Systemtic Name: methyl 5-[bis(2-chloroethyl)aminomethyl]-2-(2-methylpropoxy)benzoate Openeye Name: methyl 5-[bis(2-chloroethyl)aminomethyl]-2-isobutoxy-benzoate CAS Name: 5-[bis(2-chloroethyl)aminomethyl]-2-(2-methylpropoxy)benzoic acid methyl ester IUPAC Name: methyl 5-[bis(2-chloroethyl)aminomethyl]-2-(2-methylpropoxy)benzoate Traditional Name: 5-[bis(2-chloroethyl)aminomethyl]-2-isobutoxy-benzoic acid methyl ester Formula: C17H25Cl2NO3 MolecularWeight: 362.2913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)CN(CCCl)CCCl)C(=O)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)CN(CCCl)CCCl)C(=O)OC

InChI

InChI=1S/C17H25Cl2NO3/c1-13(2)12-23-16-5-4-14(10-15(16)17(21)22-3)11-20(8-6-18)9-7-19/h4-5,10,13H,6-9,11-12H2,1-3H3