ethyl 4-[1,3-benzodioxol-5-ylmethyl-[(2R)-2-phenylcyclopropyl]carbonyl-amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl-[(2R)-2-phenylcyclopropyl]carbonyl-amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl-[(2R)-2-phenylcyclopropanecarbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[1,3-benzodioxol-5-ylmethyl-[oxo-[(2R)-2-phenylcyclopropyl]methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl-[(2R)-2-phenylcyclopropanecarbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[(2R)-2-phenylcyclopropanecarbonyl]-piperonyl-amino]piperidine-1-carboxylic acid ethyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4CC4C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4C[C@H]4C5=CC=CC=C5

InChI

InChI=1S/C26H30N2O5/c1-2-31-26(30)27-12-10-20(11-13-27)28(16-18-8-9-23-24(14-18)33-17-32-23)25(29)22-15-21(22)19-6-4-3-5-7-19/h3-9,14,20-22H,2,10-13,15-17H2,1H3/t21-,22?/m0/s1