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

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl] decanoate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl] decanoate CAS Name: decanoic acid [4-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl] decanoate Traditional Name: capric acid [4-[bis(2-chloroethyl)amino]phenyl] ester Formula: C20H31Cl2NO2 MolecularWeight: 388.37164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl

Isomeric SMILES

CCCCCCCCCC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChI=1S/C20H31Cl2NO2/c1-2-3-4-5-6-7-8-9-20(24)25-19-12-10-18(11-13-19)23(16-14-21)17-15-22/h10-13H,2-9,14-17H2,1H3