2-(4-ethylphenyl)-2-(4-piperidin-1-ylphenyl)propanoic acid; phenylmethanamine

Systemtic Name: 2-(4-ethylphenyl)-2-(4-piperidin-1-ylphenyl)propanoic acid; phenylmethanamine Openeye Name: 2-(4-ethylphenyl)-2-[4-(1-piperidyl)phenyl]propanoic acid; phenylmethanamine CAS Name: 2-(4-ethylphenyl)-2-[4-(1-piperidinyl)phenyl]propanoic acid; phenylmethanamine IUPAC Name: 2-(4-ethylphenyl)-2-(4-piperidin-1-ylphenyl)propanoic acid; phenylmethanamine Traditional Name: benzylamine; 2-(4-ethylphenyl)-2-(4-piperidinophenyl)propionic acid Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)N3CCCCC3)C(=O)O.C1=CC=C(C=C1)CN

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)N3CCCCC3)C(=O)O.C1=CC=C(C=C1)CN

InChI

InChI=1S/C22H27NO2.C7H9N/c1-3-17-7-9-18(10-8-17)22(2,21(24)25)19-11-13-20(14-12-19)23-15-5-4-6-16-23;8-6-7-4-2-1-3-5-7/h7-14H,3-6,15-16H2,1-2H3,(H,24,25);1-5H,6,8H2