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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate CAS Name: (E)-3-(2,4-dichlorophenyl)-2-propenoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate Traditional Name: (E)-3-(2,4-dichlorophenyl)acrylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H25Cl2NO3 MolecularWeight: 422.3448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25Cl2NO3/c23-18-3-1-17(19(24)8-18)2-4-21(27)28-12-20(26)25-13-22-9-14-5-15(10-22)7-16(6-14)11-22/h1-4,8,14-16H,5-7,9-13H2,(H,25,26)/b4-2+