[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c24-6-1-7-26(23-11-17-8-18(12-23)10-19(9-17)13-23)21(27)15-29-22(28)20-4-2-16(14-25)3-5-20/h2-5,17-19H,1,7-13,15H2