cyclohexanamine; 2-[4-(cyclohexylmethoxy)-3-methoxy-phenyl]ethanoic acid

Systemtic Name: cyclohexanamine; 2-[4-(cyclohexylmethoxy)-3-methoxy-phenyl]ethanoic acid Openeye Name: cyclohexanamine; 2-[4-(cyclohexylmethoxy)-3-methoxy-phenyl]acetic acid CAS Name: cyclohexanamine; 2-[4-(cyclohexylmethoxy)-3-methoxyphenyl]acetic acid IUPAC Name: cyclohexanamine; 2-[4-(cyclohexylmethoxy)-3-methoxyphenyl]acetic acid Traditional Name: cyclohexylamine; 2-[4-(cyclohexylmethoxy)-3-methoxy-phenyl]acetic acid Formula: C22H35NO4 MolecularWeight: 377.5176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(=O)O)OCC2CCCCC2.C1CCC(CC1)N

Isomeric SMILES

COC1=C(C=CC(=C1)CC(=O)O)OCC2CCCCC2.C1CCC(CC1)N

InChI

InChI=1S/C16H22O4.C6H13N/c1-19-15-9-13(10-16(17)18)7-8-14(15)20-11-12-5-3-2-4-6-12;7-6-4-2-1-3-5-6/h7-9,12H,2-6,10-11H2,1H3,(H,17,18);6H,1-5,7H2