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

Systemtic Name: 2-phenoxyethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: 2-phenoxyethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid 2-phenoxyethyl ester Formula: C22H27Cl2NO3 MolecularWeight: 424.36068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27Cl2NO3/c23-13-15-25(16-14-24)20-11-9-19(10-12-20)5-4-8-22(26)28-18-17-27-21-6-2-1-3-7-21/h1-3,6-7,9-12H,4-5,8,13-18H2