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

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 4-methanoylbenzoate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic 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] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] ester Formula: C22H21NO6 MolecularWeight: 395.40524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6/c24-13-15-4-6-16(7-5-15)21(26)27-14-20(25)23-17-8-9-18-19(12-17)29-22(28-18)10-2-1-3-11-22/h4-9,12-13H,1-3,10-11,14H2,(H,23,25)