N-[(2R)-2-benzamidocyclohexyl]-1-(1,3-benzodioxol-5-ylcarbonyl)piperidine-4-carboxamide

Systemtic Name: N-[(2R)-2-benzamidocyclohexyl]-1-(1,3-benzodioxol-5-ylcarbonyl)piperidine-4-carboxamide Openeye Name: N-[(2R)-2-benzamidocyclohexyl]-1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-[(2R)-2-benzamidocyclohexyl]-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2R)-2-benzamidocyclohexyl]-1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-[(2R)-2-benzamidocyclohexyl]-1-piperonyloyl-isonipecotamide Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC([C@@H](C1)NC(=O)C2=CC=CC=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H31N3O5/c31-25(18-6-2-1-3-7-18)28-21-8-4-5-9-22(21)29-26(32)19-12-14-30(15-13-19)27(33)20-10-11-23-24(16-20)35-17-34-23/h1-3,6-7,10-11,16,19,21-22H,4-5,8-9,12-15,17H2,(H,28,31)(H,29,32)/t21-,22?/m1/s1