4-methylaniline; 2-(4-methylphenyl)-2-(4-piperidin-1-ylphenyl)propanoic acid

Systemtic Name: 4-methylaniline; 2-(4-methylphenyl)-2-(4-piperidin-1-ylphenyl)propanoic acid Openeye Name: 4-methylaniline; 2-[4-(1-piperidyl)phenyl]-2-(p-tolyl)propanoic acid CAS Name: 4-methylaniline; 2-(4-methylphenyl)-2-[4-(1-piperidinyl)phenyl]propanoic acid IUPAC Name: 4-methylaniline; 2-(4-methylphenyl)-2-(4-piperidin-1-ylphenyl)propanoic acid Traditional Name: 2-(4-piperidinophenyl)-2-(p-tolyl)propionic acid; p-toluidine Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)N3CCCCC3)C(=O)O.CC1=CC=C(C=C1)N

Isomeric SMILES

CC1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)N3CCCCC3)C(=O)O.CC1=CC=C(C=C1)N

InChI

InChI=1S/C21H25NO2.C7H9N/c1-16-6-8-17(9-7-16)21(2,20(23)24)18-10-12-19(13-11-18)22-14-4-3-5-15-22;1-6-2-4-7(8)5-3-6/h6-13H,3-5,14-15H2,1-2H3,(H,23,24);2-5H,8H2,1H3