4-[1,3-benzodioxol-5-ylmethyl-(4-methylphenyl)carbonyl-amino]-1-ethanoyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 4-[1,3-benzodioxol-5-ylmethyl-(4-methylphenyl)carbonyl-amino]-1-ethanoyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: 1-acetyl-4-[1,3-benzodioxol-5-ylmethyl-(4-methylbenzoyl)amino]-N-benzyl-piperidine-4-carboxamide CAS Name: 1-acetyl-4-[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)-oxomethyl]amino]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-acetyl-4-[1,3-benzodioxol-5-ylmethyl-(4-methylbenzoyl)amino]-N-benzylpiperidine-4-carboxamide Traditional Name: 1-acetyl-N-benzyl-4-[piperonyl(p-toluoyl)amino]isonipecotamide Formula: C31H33N3O5 MolecularWeight: 527.61082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)C4(CCN(CC4)C(=O)C)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)C4(CCN(CC4)C(=O)C)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C31H33N3O5/c1-22-8-11-26(12-9-22)29(36)34(20-25-10-13-27-28(18-25)39-21-38-27)31(14-16-33(17-15-31)23(2)35)30(37)32-19-24-6-4-3-5-7-24/h3-13,18H,14-17,19-21H2,1-2H3,(H,32,37)