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

Systemtic Name: 2-chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: 2-chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid 2-chloroethyl ester Formula: C16H22Cl3NO2 MolecularWeight: 366.71038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)N(CCCl)CCCl)C(=O)OCCCl

Isomeric SMILES

CCC(C1=CC=C(C=C1)N(CCCl)CCCl)C(=O)OCCCl

InChI

InChI=1S/C16H22Cl3NO2/c1-2-15(16(21)22-12-9-19)13-3-5-14(6-4-13)20(10-7-17)11-8-18/h3-6,15H,2,7-12H2,1H3