4-(3-chloranylpropylcarbamoylamino)-1-phenylmethoxycarbonyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(3-chloranylpropylcarbamoylamino)-1-phenylmethoxycarbonyl-piperidine-4-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4-(3-chloropropylcarbamoylamino)piperidine-4-carboxylic acid CAS Name: 4-[[(3-chloropropylamino)-oxomethyl]amino]-1-phenylmethoxycarbonyl-4-piperidinecarboxylic acid IUPAC Name: 4-(3-chloropropylcarbamoylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid Traditional Name: 1-carbobenzoxy-4-(3-chloropropylcarbamoylamino)isonipecotic acid Formula: C18H24ClN3O5 MolecularWeight: 397.85326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)NC(=O)NCCCCl)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1(C(=O)O)NC(=O)NCCCCl)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H24ClN3O5/c19-9-4-10-20-16(25)21-18(15(23)24)7-11-22(12-8-18)17(26)27-13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,23,24)(H2,20,21,25)