1-prop-2-enoxycarbonylpiperidine-4-carboxylic acid; prop-2-enyl 4-carbonochloridoylpiperidine-1-carboxylate

Systemtic Name: 1-prop-2-enoxycarbonylpiperidine-4-carboxylic acid; prop-2-enyl 4-carbonochloridoylpiperidine-1-carboxylate Openeye Name: allyl 4-chlorocarbonylpiperidine-1-carboxylate; 1-allyloxycarbonylpiperidine-4-carboxylic acid CAS Name: 4-carbonochloridoyl-1-piperidinecarboxylic acid prop-2-enyl ester; 1-[oxo(prop-2-enoxy)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-prop-2-enoxycarbonylpiperidine-4-carboxylic acid; prop-2-enyl 4-carbonochloridoylpiperidine-1-carboxylate Traditional Name: 1-allyloxycarbonylisonipecotic acid; 4-chlorocarbonylpiperidine-1-carboxylic acid allyl ester Formula: C20H29ClN2O7 MolecularWeight: 444.90646

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CCC(CC1)C(=O)O.C=CCOC(=O)N1CCC(CC1)C(=O)Cl

Isomeric SMILES

C=CCOC(=O)N1CCC(CC1)C(=O)O.C=CCOC(=O)N1CCC(CC1)C(=O)Cl

InChI

InChI=1S/C10H14ClNO3.C10H15NO4/c1-2-7-15-10(14)12-5-3-8(4-6-12)9(11)13;1-2-7-15-10(14)11-5-3-8(4-6-11)9(12)13/h2,8H,1,3-7H2;2,8H,1,3-7H2,(H,12,13)