[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H26FNO4 MolecularWeight: 387.444543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO4/c1-27-19-4-2-14(9-18(19)23)3-5-21(26)28-13-20(25)24-22-10-15-6-16(11-22)8-17(7-15)12-22/h2-5,9,15-17H,6-8,10-13H2,1H3,(H,24,25)/b5-3+