[2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C21H28BrNO3 MolecularWeight: 422.35592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H28BrNO3/c22-17-9-7-8-16(14-17)21(25)26-15-20(24)23(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h7-9,14,18-19H,1-6,10-13,15H2