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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5/c25-21(24-23-11-16-7-17(12-23)9-18(8-16)13-23)14-29-22(26)4-2-15-1-3-19-20(10-15)28-6-5-27-19/h1-4,10,16-18H,5-9,11-14H2,(H,24,25)/b4-2+