methyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

Systemtic Name: methyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: methyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid methyl ester Formula: C15H21Cl2NO2 MolecularWeight: 318.23874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChI=1S/C15H21Cl2NO2/c1-20-15(19)4-2-3-13-5-7-14(8-6-13)18(11-9-16)12-10-17/h5-8H,2-4,9-12H2,1H3