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

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

Systemtic Name:4-[bis(5-methyl-2-propan-2-yl-cyclohexyl)amino]benzoic acid
Openeye Name:4-[bis(2-isopropyl-5-methyl-cyclohexyl)amino]benzoic acid
CAS Name:4-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]benzoic acid
IUPAC Name:4-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]benzoic acid
Traditional Name:4-[bis(2-isopropyl-5-methyl-cyclohexyl)amino]benzoic acid
Formula: C27H43NO2
MolecularWeight: 413.63582
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H43NO2/c1-17(2)23-13-7-19(5)15-25(23)28(22-11-9-21(10-12-22)27(29)30)26-16-20(6)8-14-24(26)18(3)4/h9-12,17-20,23-26H,7-8,13-16H2,1-6H3,(H,29,30)


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