2-[4-[2-hydroxyethyl-(3,3,5-trimethylcyclohexyl)amino]phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-[2-hydroxyethyl-(3,3,5-trimethylcyclohexyl)amino]phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[2-hydroxyethyl-(3,3,5-trimethylcyclohexyl)amino]benzoyl]benzoic acid CAS Name: 2-[[4-[2-hydroxyethyl-(3,3,5-trimethylcyclohexyl)amino]phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[2-hydroxyethyl-(3,3,5-trimethylcyclohexyl)amino]benzoyl]benzoic acid Traditional Name: 2-[4-[2-hydroxyethyl-(3,3,5-trimethylcyclohexyl)amino]benzoyl]benzoic acid Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)N(CCO)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1CC(CC(C1)(C)C)N(CCO)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C25H31NO4/c1-17-14-20(16-25(2,3)15-17)26(12-13-27)19-10-8-18(9-11-19)23(28)21-6-4-5-7-22(21)24(29)30/h4-11,17,20,27H,12-16H2,1-3H3,(H,29,30)