4-(3-chloranylpropylcarbamoylamino)-1-phenylmethoxycarbonyl-piperidine-2-carboxylic acid

Systemtic Name: 4-(3-chloranylpropylcarbamoylamino)-1-phenylmethoxycarbonyl-piperidine-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4-(3-chloropropylcarbamoylamino)piperidine-2-carboxylic acid CAS Name: 4-[[(3-chloropropylamino)-oxomethyl]amino]-1-phenylmethoxycarbonyl-2-piperidinecarboxylic acid IUPAC Name: 4-(3-chloropropylcarbamoylamino)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid Traditional Name: 1-carbobenzoxy-4-(3-chloropropylcarbamoylamino)pipecolinic acid Formula: C18H24ClN3O5 MolecularWeight: 397.85326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1NC(=O)NCCCCl)C(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(C(CC1NC(=O)NCCCCl)C(=O)O)C(=O)OCC2=CC=CC=C2

InChI

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