[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate CAS Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate Traditional Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C=CC(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)/C=C/C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29NO6/c1-28-19-9-15(10-20-23(19)30-5-4-29-20)2-3-22(27)31-14-21(26)25-24-11-16-6-17(12-24)8-18(7-16)13-24/h2-3,9-10,16-18H,4-8,11-14H2,1H3,(H,25,26)/b3-2+