ethanedioic acid; methyl 3-(3-chloranylpropyl)-1-(phenylmethyl)azetidine-3-carboxylate

Systemtic Name: ethanedioic acid; methyl 3-(3-chloranylpropyl)-1-(phenylmethyl)azetidine-3-carboxylate Openeye Name: methyl 1-benzyl-3-(3-chloropropyl)azetidine-3-carboxylate; oxalic acid CAS Name: 3-(3-chloropropyl)-1-(phenylmethyl)-3-azetidinecarboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 1-benzyl-3-(3-chloropropyl)azetidine-3-carboxylate; oxalic acid Traditional Name: 1-benzyl-3-(3-chloropropyl)azetidine-3-carboxylic acid methyl ester; oxalic acid Formula: C17H22ClNO6 MolecularWeight: 371.81268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CN(C1)CC2=CC=CC=C2)CCCCl.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1(CN(C1)CC2=CC=CC=C2)CCCCl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H20ClNO2.C2H2O4/c1-19-14(18)15(8-5-9-16)11-17(12-15)10-13-6-3-2-4-7-13;3-1(4)2(5)6/h2-4,6-7H,5,8-12H2,1H3;(H,3,4)(H,5,6)