4-benzamido-1-(phenylmethyl)piperidine-4-carboxylate; butane; ethanedioate

Systemtic Name: 4-benzamido-1-(phenylmethyl)piperidine-4-carboxylate; butane; ethanedioate Openeye Name: 4-benzamido-1-benzyl-piperidine-4-carboxylate; butane; oxalate CAS Name: 4-benzamido-1-(phenylmethyl)-4-piperidinecarboxylate; butane; oxalate IUPAC Name: 4-benzamido-1-benzylpiperidine-4-carboxylate; butane; oxalate Traditional Name: 4-benzamido-1-benzyl-isonipecotate; butane; oxalate Formula: C26H30N2O7-3 MolecularWeight: 482.5256

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2].C1CN(CCC1(C(=O)[O-])NC(=O)C2=CC=CC=C2)CC3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCC[CH2].C1CN(CCC1(C(=O)[O-])NC(=O)C2=CC=CC=C2)CC3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C20H22N2O3.C4H9.C2H2O4/c23-18(17-9-5-2-6-10-17)21-20(19(24)25)11-13-22(14-12-20)15-16-7-3-1-4-8-16;1-3-4-2;3-1(4)2(5)6/h1-10H,11-15H2,(H,21,23)(H,24,25);1,3-4H2,2H3;(H,3,4)(H,5,6)/p-3