1,3-benzodioxol-5-yl 2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: 1,3-benzodioxol-5-yl 2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: 2-(adamantane-1-carbonylamino)-3-methyl-butyric acid 1,3-benzodioxol-5-yl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC2=C(C=C1)OCO2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)OC1=CC2=C(C=C1)OCO2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29NO5/c1-13(2)20(21(25)29-17-3-4-18-19(8-17)28-12-27-18)24-22(26)23-9-14-5-15(10-23)7-16(6-14)11-23/h3-4,8,13-16,20H,5-7,9-12H2,1-2H3,(H,24,26)