4-(aminomethyl)cyclohexane-1-carboxylic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: 4-(aminomethyl)cyclohexane-1-carboxylic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: 4-(aminomethyl)cyclohexanecarboxylic acid; 2-(4-isobutylphenyl)propanoic acid CAS Name: 4-(aminomethyl)-1-cyclohexanecarboxylic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: 4-(aminomethyl)cyclohexane-1-carboxylic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: 4-(aminomethyl)cyclohexanecarboxylic acid; 2-(4-isobutylphenyl)propionic acid Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C1CC(CCC1CN)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C1CC(CCC1CN)C(=O)O

InChI

InChI=1S/C13H18O2.C8H15NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;9-5-6-1-3-7(4-2-6)8(10)11/h4-7,9-10H,8H2,1-3H3,(H,14,15);6-7H,1-5,9H2,(H,10,11)