[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4-dimethoxyphenyl)-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,4-dimethoxyphenyl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=CC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C/C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C23H29NO5/c1-27-19-5-3-18(20(10-19)28-2)4-6-22(26)29-14-21(25)24-23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,10,15-17H,7-9,11-14H2,1-2H3,(H,24,25)/b6-4+