ethyl 1-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl]nipecotic acid ethyl ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H23N3O6/c1-2-25-17(23)12-4-3-7-21(9-12)10-16(22)20-18(24)19-13-5-6-14-15(8-13)27-11-26-14/h5-6,8,12H,2-4,7,9-11H2,1H3,(H2,19,20,22,24)