1,3-bis(chloranyl)propan-2-yl 4-oxidanylidene-4-[(phenylmethyl)amino]butanoate

Systemtic Name: 1,3-bis(chloranyl)propan-2-yl 4-oxidanylidene-4-[(phenylmethyl)amino]butanoate Openeye Name: [2-chloro-1-(chloromethyl)ethyl] 4-(benzylamino)-4-oxo-butanoate CAS Name: 4-oxo-4-[(phenylmethyl)amino]butanoic acid 1,3-dichloropropan-2-yl ester IUPAC Name: 1,3-dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate Traditional Name: 4-(benzylamino)-4-keto-butyric acid [2-chloro-1-(chloromethyl)ethyl] ester Formula: C14H17Cl2NO3 MolecularWeight: 318.19568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCC(=O)OC(CCl)CCl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCC(=O)OC(CCl)CCl

InChI

InChI=1S/C14H17Cl2NO3/c15-8-12(9-16)20-14(19)7-6-13(18)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18)