4-azanyl-1-phenyl-cyclohexan-1-ol; 2-(4-phenylphenyl)butanoic acid

Systemtic Name: 4-azanyl-1-phenyl-cyclohexan-1-ol; 2-(4-phenylphenyl)butanoic acid Openeye Name: 4-amino-1-phenyl-cyclohexanol; 2-(4-phenylphenyl)butanoic acid CAS Name: 4-amino-1-phenyl-1-cyclohexanol; 2-(4-phenylphenyl)butanoic acid IUPAC Name: 4-amino-1-phenylcyclohexan-1-ol; 2-(4-phenylphenyl)butanoic acid Traditional Name: 4-amino-1-phenyl-cyclohexanol; 2-(4-phenylphenyl)butyric acid Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O.C1CC(CCC1N)(C2=CC=CC=C2)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O.C1CC(CCC1N)(C2=CC=CC=C2)O

InChI

InChI=1S/C16H16O2.C12H17NO/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12;13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h3-11,15H,2H2,1H3,(H,17,18);1-5,11,14H,6-9,13H2