1-[(E)-but-2-enoyl]-N-[2-(4-ethylphenyl)ethyl]-4-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(E)-but-2-enoyl]-N-[2-(4-ethylphenyl)ethyl]-4-(phenylmethyl)piperidine-4-carboxamide Openeye Name: 4-benzyl-1-[(E)-but-2-enoyl]-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide CAS Name: N-[2-(4-ethylphenyl)ethyl]-1-[(E)-1-oxobut-2-enyl]-4-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 4-benzyl-1-[(E)-but-2-enoyl]-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 4-benzyl-1-[(E)-but-2-enoyl]-N-[2-(4-ethylphenyl)ethyl]isonipecotamide Formula: C27H34N2O2 MolecularWeight: 418.57106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCNC(=O)C2(CCN(CC2)C(=O)C=CC)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)CCNC(=O)C2(CCN(CC2)C(=O)/C=C/C)CC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O2/c1-3-8-25(30)29-19-16-27(17-20-29,21-24-9-6-5-7-10-24)26(31)28-18-15-23-13-11-22(4-2)12-14-23/h3,5-14H,4,15-21H2,1-2H3,(H,28,31)/b8-3+