4-methylaniline; 2-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)propanoic acid

Systemtic Name: 4-methylaniline; 2-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)propanoic acid Openeye Name: 4-methylaniline; 2-(4-morpholinophenyl)-2-(p-tolyl)propanoic acid CAS Name: 4-methylaniline; 2-(4-methylphenyl)-2-[4-(4-morpholinyl)phenyl]propanoic acid IUPAC Name: 4-methylaniline; 2-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)propanoic acid Traditional Name: 2-(4-morpholinophenyl)-2-(p-tolyl)propionic acid; p-toluidine Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)N3CCOCC3)C(=O)O.CC1=CC=C(C=C1)N

Isomeric SMILES

CC1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)N3CCOCC3)C(=O)O.CC1=CC=C(C=C1)N

InChI

InChI=1S/C20H23NO3.C7H9N/c1-15-3-5-16(6-4-15)20(2,19(22)23)17-7-9-18(10-8-17)21-11-13-24-14-12-21;1-6-2-4-7(8)5-3-6/h3-10H,11-14H2,1-2H3,(H,22,23);2-5H,8H2,1H3