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

Systemtic Name: octan-2-yl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: 1-methylheptyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid 1-methylheptyl ester Formula: C22H35Cl2NO2 MolecularWeight: 416.4248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl

Isomeric SMILES

CCCCCCC(C)OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChI=1S/C22H35Cl2NO2/c1-3-4-5-6-8-19(2)27-22(26)10-7-9-20-11-13-21(14-12-20)25(17-15-23)18-16-24/h11-14,19H,3-10,15-18H2,1-2H3