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

Systemtic Name: phenethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: phenethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid phenethyl ester Formula: C22H27Cl2NO2 MolecularWeight: 408.36128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27Cl2NO2/c23-14-16-25(17-15-24)21-11-9-20(10-12-21)7-4-8-22(26)27-18-13-19-5-2-1-3-6-19/h1-3,5-6,9-12H,4,7-8,13-18H2