N-butyl-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidine-4-carboxamide; ethanedioic acid

Systemtic Name: N-butyl-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidine-4-carboxamide; ethanedioic acid Openeye Name: N-butyl-1-[(E)-2-methyl-3-phenyl-allyl]piperidine-4-carboxamide; oxalic acid CAS Name: N-butyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-butyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide; oxalic acid Traditional Name: N-butyl-1-[(E)-2-methyl-3-phenyl-allyl]isonipecotamide; oxalic acid Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CCN(CC1)CC(=CC2=CC=CC=C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNC(=O)C1CCN(CC1)C/C(=C/C2=CC=CC=C2)/C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O.C2H2O4/c1-3-4-12-21-20(23)19-10-13-22(14-11-19)16-17(2)15-18-8-6-5-7-9-18;3-1(4)2(5)6/h5-9,15,19H,3-4,10-14,16H2,1-2H3,(H,21,23);(H,3,4)(H,5,6)/b17-15+;