2-(pyridin-3-ylcarbonylamino)ethyl 4-[bis(2-chloroethyl)amino]butanoate

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl 4-[bis(2-chloroethyl)amino]butanoate Openeye Name: 2-(pyridine-3-carbonylamino)ethyl 4-[bis(2-chloroethyl)amino]butanoate CAS Name: 4-[bis(2-chloroethyl)amino]butanoic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl 4-[bis(2-chloroethyl)amino]butanoate Traditional Name: 4-[bis(2-chloroethyl)amino]butyric acid 2-nicotinamidoethyl ester Formula: C16H23Cl2N3O3 MolecularWeight: 376.27812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NCCOC(=O)CCCN(CCCl)CCCl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NCCOC(=O)CCCN(CCCl)CCCl

InChI

InChI=1S/C16H23Cl2N3O3/c17-5-10-21(11-6-18)9-2-4-15(22)24-12-8-20-16(23)14-3-1-7-19-13-14/h1,3,7,13H,2,4-6,8-12H2,(H,20,23)