[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(4-cyanophenyl)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H26N2O3/c23-13-16-3-1-15(2-4-16)5-6-21(26)27-14-20(25)24-22-10-17-7-18(11-22)9-19(8-17)12-22/h1-4,17-19H,5-12,14H2,(H,24,25)