2-[3-chloranyl-4-(cyclohexylmethoxy)phenyl]-2-methyl-propanoic acid; cyclohexanamine

Systemtic Name: 2-[3-chloranyl-4-(cyclohexylmethoxy)phenyl]-2-methyl-propanoic acid; cyclohexanamine Openeye Name: 2-[3-chloro-4-(cyclohexylmethoxy)phenyl]-2-methyl-propanoic acid; cyclohexanamine CAS Name: 2-[3-chloro-4-(cyclohexylmethoxy)phenyl]-2-methylpropanoic acid; cyclohexanamine IUPAC Name: 2-[3-chloro-4-(cyclohexylmethoxy)phenyl]-2-methylpropanoic acid; cyclohexanamine Traditional Name: 2-[3-chloro-4-(cyclohexylmethoxy)phenyl]-2-methyl-propionic acid; cyclohexylamine Formula: C23H36ClNO3 MolecularWeight: 409.98984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClO3.C6H13N/c1-17(2,16(19)20)13-8-9-15(14(18)10-13)21-11-12-6-4-3-5-7-12;7-6-4-2-1-3-5-6/h8-10,12H,3-7,11H2,1-2H3,(H,19,20);6H,1-5,7H2