[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29NO6/c26-19(18-1-3-20-21(10-18)30-6-5-29-20)2-4-23(28)31-14-22(27)25-24-11-15-7-16(12-24)9-17(8-15)13-24/h1,3,10,15-17H,2,4-9,11-14H2,(H,25,27)