[4-methyl-4-[[(2-methylphenyl)carbonylamino]methyl]-1-oxidanyl-cyclohexyl]methyl 2-methylbenzoate

Systemtic Name: [4-methyl-4-[[(2-methylphenyl)carbonylamino]methyl]-1-oxidanyl-cyclohexyl]methyl 2-methylbenzoate Openeye Name: [1-hydroxy-4-methyl-4-[[(2-methylbenzoyl)amino]methyl]cyclohexyl]methyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid [1-hydroxy-4-methyl-4-[[[(2-methylphenyl)-oxomethyl]amino]methyl]cyclohexyl]methyl ester IUPAC Name: [1-hydroxy-4-methyl-4-[[(2-methylbenzoyl)amino]methyl]cyclohexyl]methyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [1-hydroxy-4-methyl-4-[(o-toluoylamino)methyl]cyclohexyl]methyl ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC2(CCC(CC2)(COC(=O)C3=CC=CC=C3C)O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCC2(CCC(CC2)(COC(=O)C3=CC=CC=C3C)O)C

InChI

InChI=1S/C25H31NO4/c1-18-8-4-6-10-20(18)22(27)26-16-24(3)12-14-25(29,15-13-24)17-30-23(28)21-11-7-5-9-19(21)2/h4-11,29H,12-17H2,1-3H3,(H,26,27)