[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)C(C)(C)C

InChI

InChI=1S/C27H39NO3/c1-25(2,3)21-10-20(11-22(12-21)26(4,5)6)24(30)31-16-23(29)28-27-13-17-7-18(14-27)9-19(8-17)15-27/h10-12,17-19H,7-9,13-16H2,1-6H3,(H,28,29)