2-(4-ethylphenyl)-2-(4-morpholin-4-ylphenyl)propanoic acid; phenylmethanamine

Systemtic Name: 2-(4-ethylphenyl)-2-(4-morpholin-4-ylphenyl)propanoic acid; phenylmethanamine Openeye Name: 2-(4-ethylphenyl)-2-(4-morpholinophenyl)propanoic acid; phenylmethanamine CAS Name: 2-(4-ethylphenyl)-2-[4-(4-morpholinyl)phenyl]propanoic acid; phenylmethanamine IUPAC Name: 2-(4-ethylphenyl)-2-(4-morpholin-4-ylphenyl)propanoic acid; phenylmethanamine Traditional Name: benzylamine; 2-(4-ethylphenyl)-2-(4-morpholinophenyl)propionic acid Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)N3CCOCC3)C(=O)O.C1=CC=C(C=C1)CN

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)N3CCOCC3)C(=O)O.C1=CC=C(C=C1)CN

InChI

InChI=1S/C21H25NO3.C7H9N/c1-3-16-4-6-17(7-5-16)21(2,20(23)24)18-8-10-19(11-9-18)22-12-14-25-15-13-22;8-6-7-4-2-1-3-5-7/h4-11H,3,12-15H2,1-2H3,(H,23,24);1-5H,6,8H2