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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H35NO3 MolecularWeight: 373.5289

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)N2CCCCCC2)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)N2CCCCCC2)C(C)(C)C

InChI

InChI=1S/C23H35NO3/c1-22(2,3)18-13-17(14-19(15-18)23(4,5)6)21(26)27-16-20(25)24-11-9-7-8-10-12-24/h13-15H,7-12,16H2,1-6H3