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

Systemtic Name: pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid pentyl ester IUPAC Name: pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid amyl ester Formula: C19H29Cl2NO2 MolecularWeight: 374.34506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29Cl2NO2/c1-2-3-4-16-24-19(23)7-5-6-17-8-10-18(11-9-17)22(14-12-20)15-13-21/h8-11H,2-7,12-16H2,1H3