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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C25H39NO3 MolecularWeight: 401.58206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2CCCCCCC2)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2CCCCCCC2)C(C)(C)C

InChI

InChI=1S/C25H39NO3/c1-24(2,3)19-14-18(15-20(16-19)25(4,5)6)23(28)29-17-22(27)26-21-12-10-8-7-9-11-13-21/h14-16,21H,7-13,17H2,1-6H3,(H,26,27)