[2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(4-chlorophenyl)-2-propenoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chlorophenyl)acrylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H23ClO3 MolecularWeight: 358.85852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C=CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)/C=C/C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H23ClO3/c22-18-4-1-14(2-5-18)3-6-20(24)25-13-19(23)21-10-15-7-16(11-21)9-17(8-15)12-21/h1-6,15-17H,7-13H2/b6-3+