1,3-benzodioxol-5-ylmethyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid piperonyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=CC5=C(C=C4)OCO5

InChI

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