[2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-propenoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)acrylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H27ClO5 MolecularWeight: 418.91048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)Cl)OC

InChI

InChI=1S/C23H27ClO5/c1-27-19-9-14(8-18(24)22(19)28-2)3-4-21(26)29-13-20(25)23-10-15-5-16(11-23)7-17(6-15)12-23/h3-4,8-9,15-17H,5-7,10-13H2,1-2H3/b4-3+