(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(1-adamantylcarbonylamino)butanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C24H30ClNO5 MolecularWeight: 447.9517

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30ClNO5/c25-19-9-18(10-20-22(19)30-5-4-29-20)14-31-21(27)2-1-3-26-23(28)24-11-15-6-16(12-24)8-17(7-15)13-24/h9-10,15-17H,1-8,11-14H2,(H,26,28)