1,3-benzodioxol-5-yl 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(1-adamantylcarbonylamino)propanoate Openeye Name: 1,3-benzodioxol-5-yl 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid 1,3-benzodioxol-5-yl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H25NO5/c23-19(27-16-1-2-17-18(8-16)26-12-25-17)3-4-22-20(24)21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15H,3-7,9-12H2,(H,22,24)