1-[[3,4-bis(oxidanyl)phenyl]methyl]-3-[(1S,2S,6R)-2-methyl-6-propan-2-yl-cyclohexyl]oxy-urea

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-3-[(1S,2S,6R)-2-methyl-6-propan-2-yl-cyclohexyl]oxy-urea Openeye Name: 1-[(3,4-dihydroxyphenyl)methyl]-3-[(1S,2R,6S)-2-isopropyl-6-methyl-cyclohexoxy]urea CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-3-[(1S,2S,6R)-2-methyl-6-propan-2-ylcyclohexyl]oxyurea IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]-3-[(1S,2S,6R)-2-methyl-6-propan-2-ylcyclohexyl]oxyurea Traditional Name: 1-[(1S,2R,6S)-2-isopropyl-6-methyl-cyclohexoxy]-3-protocatechuyl-urea Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1ONC(=O)NCC2=CC(=C(C=C2)O)O)C(C)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@H]1ONC(=O)NCC2=CC(=C(C=C2)O)O)C(C)C

InChI

InChI=1S/C18H28N2O4/c1-11(2)14-6-4-5-12(3)17(14)24-20-18(23)19-10-13-7-8-15(21)16(22)9-13/h7-9,11-12,14,17,21-22H,4-6,10H2,1-3H3,(H2,19,20,23)/t12-,14+,17-/m0/s1