2-(4-cyclohexyl-2-oxidanyl-phenyl)carbonylbenzoic acid; methanamine

Systemtic Name: 2-(4-cyclohexyl-2-oxidanyl-phenyl)carbonylbenzoic acid; methanamine Openeye Name: 2-(4-cyclohexyl-2-hydroxy-benzoyl)benzoic acid; methanamine CAS Name: 2-[(4-cyclohexyl-2-hydroxyphenyl)-oxomethyl]benzoic acid; methanamine IUPAC Name: 2-(4-cyclohexyl-2-hydroxybenzoyl)benzoic acid; methanamine Traditional Name: 2-(4-cyclohexyl-2-hydroxy-benzoyl)benzoic acid; methylamine Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CN.C1CCC(CC1)C2=CC(=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)O

Isomeric SMILES

CN.C1CCC(CC1)C2=CC(=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)O

InChI

InChI=1S/C20H20O4.CH5N/c21-18-12-14(13-6-2-1-3-7-13)10-11-17(18)19(22)15-8-4-5-9-16(15)20(23)24;1-2/h4-5,8-13,21H,1-3,6-7H2,(H,23,24);2H2,1H3