3-[bis(5-methyl-2-propan-2-yl-cyclohexyl)amino]benzoic acid

Systemtic Name: 3-[bis(5-methyl-2-propan-2-yl-cyclohexyl)amino]benzoic acid Openeye Name: 3-[bis(2-isopropyl-5-methyl-cyclohexyl)amino]benzoic acid CAS Name: 3-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]benzoic acid IUPAC Name: 3-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]benzoic acid Traditional Name: 3-[bis(2-isopropyl-5-methyl-cyclohexyl)amino]benzoic acid Formula: C27H43NO2 MolecularWeight: 413.63582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)N(C2CC(CCC2C(C)C)C)C3=CC=CC(=C3)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(C(C1)N(C2CC(CCC2C(C)C)C)C3=CC=CC(=C3)C(=O)O)C(C)C

InChI

InChI=1S/C27H43NO2/c1-17(2)23-12-10-19(5)14-25(23)28(22-9-7-8-21(16-22)27(29)30)26-15-20(6)11-13-24(26)18(3)4/h7-9,16-20,23-26H,10-15H2,1-6H3,(H,29,30)