[4-methyl-4-[[(2-methylphenyl)carbonylamino]methyl]cyclohexyl] 2-bromanylbenzoate

Systemtic Name: [4-methyl-4-[[(2-methylphenyl)carbonylamino]methyl]cyclohexyl] 2-bromanylbenzoate Openeye Name: [4-methyl-4-[[(2-methylbenzoyl)amino]methyl]cyclohexyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-methyl-4-[[[(2-methylphenyl)-oxomethyl]amino]methyl]cyclohexyl] ester IUPAC Name: [4-methyl-4-[[(2-methylbenzoyl)amino]methyl]cyclohexyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-methyl-4-[(o-toluoylamino)methyl]cyclohexyl] ester Formula: C23H26BrNO3 MolecularWeight: 444.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC2(CCC(CC2)OC(=O)C3=CC=CC=C3Br)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCC2(CCC(CC2)OC(=O)C3=CC=CC=C3Br)C

InChI

InChI=1S/C23H26BrNO3/c1-16-7-3-4-8-18(16)21(26)25-15-23(2)13-11-17(12-14-23)28-22(27)19-9-5-6-10-20(19)24/h3-10,17H,11-15H2,1-2H3,(H,25,26)