[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(3,4-dichlorophenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(3,4-dichlorophenyl)prop-2-enoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(3,4-dichlorophenyl)prop-2-enoate CAS Name: 3-(3,4-dichlorophenyl)-2-propenoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(3,4-dichlorophenyl)prop-2-enoate Traditional Name: 3-(3,4-dichlorophenyl)acrylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H22Cl2O3 MolecularWeight: 393.30358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2O3/c22-17-3-1-13(8-18(17)23)2-4-20(25)26-12-19(24)21-9-14-5-15(10-21)7-16(6-14)11-21/h1-4,8,14-16H,5-7,9-12H2