O4-ethyl O1-(phenylmethyl) 4-(3-chloranylpropylcarbamoylamino)piperidine-1,4-dicarboxylate

Systemtic Name: O4-ethyl O1-(phenylmethyl) 4-(3-chloranylpropylcarbamoylamino)piperidine-1,4-dicarboxylate Openeye Name: O1-benzyl O4-ethyl 4-(3-chloropropylcarbamoylamino)piperidine-1,4-dicarboxylate CAS Name: 4-[[(3-chloropropylamino)-oxomethyl]amino]piperidine-1,4-dicarboxylic acid O4-ethyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-ethyl 4-(3-chloropropylcarbamoylamino)piperidine-1,4-dicarboxylate Traditional Name: 4-(3-chloropropylcarbamoylamino)piperidine-1,4-dicarboxylic acid O1-benzyl ester O4-ethyl ester Formula: C20H28ClN3O5 MolecularWeight: 425.90642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)OCC2=CC=CC=C2)NC(=O)NCCCCl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OCC2=CC=CC=C2)NC(=O)NCCCCl

InChI

InChI=1S/C20H28ClN3O5/c1-2-28-17(25)20(23-18(26)22-12-6-11-21)9-13-24(14-10-20)19(27)29-15-16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3,(H2,22,23,26)