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

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 3-methoxybenzoate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic 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] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

InChI

InChI=1S/C22H23NO6/c1-26-17-7-5-6-15(12-17)21(25)27-14-20(24)23-16-8-9-18-19(13-16)29-22(28-18)10-3-2-4-11-22/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,24)