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

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3-(2,4-dichlorophenyl)prop-2-enoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 3-(2,4-dichlorophenyl)prop-2-enoate CAS Name: 3-(2,4-dichlorophenyl)-2-propenoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 3-(2,4-dichlorophenyl)prop-2-enoate Traditional Name: 3-(2,4-dichlorophenyl)acrylic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C21H23Cl2NO3 MolecularWeight: 408.31822

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C=CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C=CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H23Cl2NO3/c22-17-3-1-14(18(23)10-17)2-4-20(26)27-11-19(25)24-21-15-6-12-5-13(8-15)9-16(21)7-12/h1-4,10,12-13,15-16,21H,5-9,11H2,(H,24,25)