ethyl 1-(1,3-benzodioxol-5-ylcarbamoyl)-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-ylcarbamoyl)-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-5-ylcarbamoyl)-3-benzyl-piperidine-3-carboxylate CAS Name: 1-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-5-ylcarbamoyl)-3-benzylpiperidine-3-carboxylate Traditional Name: 1-(1,3-benzodioxol-5-ylcarbamoyl)-3-benzyl-nipecotic acid ethyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O5/c1-2-28-21(26)23(14-17-7-4-3-5-8-17)11-6-12-25(15-23)22(27)24-18-9-10-19-20(13-18)30-16-29-19/h3-5,7-10,13H,2,6,11-12,14-16H2,1H3,(H,24,27)