[(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(hydroxymethyl)benzoate

Systemtic Name: [(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(hydroxymethyl)benzoate Openeye Name: [(1R)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC=C(C=C2)CO

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)OC(=O)C2=CC=C(C=C2)CO

InChI

InChI=1S/C18H25NO4/c1-13(17(21)19-11-14-5-3-2-4-6-14)23-18(22)16-9-7-15(12-20)8-10-16/h7-10,13-14,20H,2-6,11-12H2,1H3,(H,19,21)/t13-/m1/s1