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

Systemtic Name: (phenylmethyl) 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid benzyl ester Formula: C21H25Cl2NO2 MolecularWeight: 394.3347

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl

InChI

InChI=1S/C21H25Cl2NO2/c22-13-15-24(16-14-23)20-11-9-18(10-12-20)7-4-8-21(25)26-17-19-5-2-1-3-6-19/h1-3,5-6,9-12H,4,7-8,13-17H2