[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31N3O3/c1-26(2)21-6-3-5-20(12-21)23(29)30-16-22(28)27(8-4-7-25)24-13-17-9-18(14-24)11-19(10-17)15-24/h3,5-6,12,17-19H,4,8-11,13-16H2,1-2H3