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

Systemtic Name: azane; 2-(4-cyclohexyl-2-oxidanyl-phenyl)carbonylbenzoic acid Openeye Name: ammonia; 2-(4-cyclohexyl-2-hydroxy-benzoyl)benzoic acid CAS Name: ammonia; 2-[(4-cyclohexyl-2-hydroxyphenyl)-oxomethyl]benzoic acid IUPAC Name: azane; 2-(4-cyclohexyl-2-hydroxybenzoyl)benzoic acid Traditional Name: ammonia; 2-(4-cyclohexyl-2-hydroxy-benzoyl)benzoic acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O4.H3N/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;/h4-5,8-13,21H,1-3,6-7H2,(H,23,24);1H3