methyl 4-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylcarbamoyl)benzoate

Systemtic Name: methyl 4-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylcarbamoyl)benzoate Openeye Name: methyl 4-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylcarbamoyl)benzoate CAS Name: 4-[oxo-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]ylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylcarbamoyl)benzoate Traditional Name: 4-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylcarbamoyl)benzoic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-25-20(24)15-7-5-14(6-8-15)19(23)22-16-9-10-17-18(13-16)27-21(26-17)11-3-2-4-12-21/h5-10,13H,2-4,11-12H2,1H3,(H,22,23)