(5-methyl-2-propan-2-yl-cyclohexyl) 2-[4-(diethylamino)-2-oxidanyl-phenyl]carbonylbenzoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[4-(diethylamino)-2-oxidanyl-phenyl]carbonylbenzoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[4-(diethylamino)-2-hydroxy-benzoyl]benzoate CAS Name: 2-[[4-(diethylamino)-2-hydroxyphenyl]-oxomethyl]benzoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate Traditional Name: 2-[4-(diethylamino)-2-hydroxy-benzoyl]benzoic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C28H37NO4 MolecularWeight: 451.59768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC3CC(CCC3C(C)C)C)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC3CC(CCC3C(C)C)C)O

InChI

InChI=1S/C28H37NO4/c1-6-29(7-2)20-13-15-24(25(30)17-20)27(31)22-10-8-9-11-23(22)28(32)33-26-16-19(5)12-14-21(26)18(3)4/h8-11,13,15,17-19,21,26,30H,6-7,12,14,16H2,1-5H3