3-(3-methoxyphenyl)cyclohexan-1-amine; 2-oxidanyl-2-phenyl-ethanoic acid

Systemtic Name: 3-(3-methoxyphenyl)cyclohexan-1-amine; 2-oxidanyl-2-phenyl-ethanoic acid Openeye Name: 2-hydroxy-2-phenyl-acetic acid; 3-(3-methoxyphenyl)cyclohexanamine CAS Name: 2-hydroxy-2-phenylacetic acid; 3-(3-methoxyphenyl)-1-cyclohexanamine IUPAC Name: 2-hydroxy-2-phenylacetic acid; 3-(3-methoxyphenyl)cyclohexan-1-amine Traditional Name: madelic acid; [3-(3-methoxyphenyl)cyclohexyl]amine Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCCC(C2)N.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2CCCC(C2)N.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C13H19NO.C8H8O3/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10;9-7(8(10)11)6-4-2-1-3-5-6/h3,5,7,9-10,12H,2,4,6,8,14H2,1H3;1-5,7,9H,(H,10,11)