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

Systemtic Name: 2-oxidanylideneethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: 2-oxoethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid 2-oxoethyl ester IUPAC Name: 2-oxoethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid 2-ketoethyl ester Formula: C16H21Cl2NO3 MolecularWeight: 346.24884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)OCC=O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)OCC=O)N(CCCl)CCCl

InChI

InChI=1S/C16H21Cl2NO3/c17-8-10-19(11-9-18)15-6-4-14(5-7-15)2-1-3-16(21)22-13-12-20/h4-7,12H,1-3,8-11,13H2