[2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] pyridine-4-carboxylate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-oxo-2-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)COC(=O)C4=CC=NC=C4

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)COC(=O)C4=CC=NC=C4

InChI

InChI=1S/C20H20N2O5/c23-18(13-25-19(24)14-6-10-21-11-7-14)22-15-4-5-16-17(12-15)27-20(26-16)8-2-1-3-9-20/h4-7,10-12H,1-3,8-9,13H2,(H,22,23)