2-[1-[(2-chlorophenyl)methylamino]-2,2-diethoxy-ethyl]propanedioic acid

Systemtic Name: 2-[1-[(2-chlorophenyl)methylamino]-2,2-diethoxy-ethyl]propanedioic acid Openeye Name: 2-[1-[(2-chlorophenyl)methylamino]-2,2-diethoxy-ethyl]propanedioic acid CAS Name: 2-[1-[(2-chlorophenyl)methylamino]-2,2-diethoxyethyl]propanedioic acid IUPAC Name: 2-[1-[(2-chlorophenyl)methylamino]-2,2-diethoxyethyl]propanedioic acid Traditional Name: 2-[1-[(2-chlorobenzyl)amino]-2,2-diethoxy-ethyl]malonic acid Formula: C16H22ClNO6 MolecularWeight: 359.80198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C(C(=O)O)C(=O)O)NCC1=CC=CC=C1Cl)OCC

Isomeric SMILES

CCOC(C(C(C(=O)O)C(=O)O)NCC1=CC=CC=C1Cl)OCC

InChI

InChI=1S/C16H22ClNO6/c1-3-23-16(24-4-2)13(12(14(19)20)15(21)22)18-9-10-7-5-6-8-11(10)17/h5-8,12-13,16,18H,3-4,9H2,1-2H3,(H,19,20)(H,21,22)