2-[4-[(4-tert-butylcyclohexyl)-(2-hydroxyethyl)amino]phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-[(4-tert-butylcyclohexyl)-(2-hydroxyethyl)amino]phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[(4-tert-butylcyclohexyl)-(2-hydroxyethyl)amino]benzoyl]benzoic acid CAS Name: 2-[[4-[(4-tert-butylcyclohexyl)-(2-hydroxyethyl)amino]phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[(4-tert-butylcyclohexyl)-(2-hydroxyethyl)amino]benzoyl]benzoic acid Traditional Name: 2-[4-[(4-tert-butylcyclohexyl)-(2-hydroxyethyl)amino]benzoyl]benzoic acid Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CCO)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CCO)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C26H33NO4/c1-26(2,3)19-10-14-21(15-11-19)27(16-17-28)20-12-8-18(9-13-20)24(29)22-6-4-5-7-23(22)25(30)31/h4-9,12-13,19,21,28H,10-11,14-17H2,1-3H3,(H,30,31)