ethyl 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenyl-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate Traditional Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-phenyl-ethyl]isonipecotic acid ethyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

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