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

Systemtic Name: ethanedioic acid; N-ethyl-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenyl-allyl]piperidine-4-carboxamide; oxalic acid CAS Name: N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(phenylmethyl)-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide; oxalic acid Traditional Name: N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenyl-allyl]isonipecotamide; oxalic acid Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)CC(=CC3=CC=CC=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)C/C(=C/C3=CC=CC=C3)/C.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H32N2O.C2H2O4/c1-3-27(20-23-12-8-5-9-13-23)25(28)24-14-16-26(17-15-24)19-21(2)18-22-10-6-4-7-11-22;3-1(4)2(5)6/h4-13,18,24H,3,14-17,19-20H2,1-2H3;(H,3,4)(H,5,6)/b21-18+;