3-(4-ethoxy-3-fluoranyl-phenyl)-2-[1-phenylethyl-(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-(4-ethoxy-3-fluoranyl-phenyl)-2-[1-phenylethyl-(phenylmethyl)amino]propanoic acid Openeye Name: 2-[benzyl(1-phenylethyl)amino]-3-(4-ethoxy-3-fluoro-phenyl)propanoic acid CAS Name: 3-(4-ethoxy-3-fluorophenyl)-2-[1-phenylethyl-(phenylmethyl)amino]propanoic acid IUPAC Name: 2-[benzyl(1-phenylethyl)amino]-3-(4-ethoxy-3-fluorophenyl)propanoic acid Traditional Name: 2-[benzyl(1-phenylethyl)amino]-3-(4-ethoxy-3-fluoro-phenyl)propionic acid Formula: C26H28FNO3 MolecularWeight: 421.503823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(C(=O)O)N(CC2=CC=CC=C2)C(C)C3=CC=CC=C3)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(C(=O)O)N(CC2=CC=CC=C2)C(C)C3=CC=CC=C3)F

InChI

InChI=1S/C26H28FNO3/c1-3-31-25-15-14-21(16-23(25)27)17-24(26(29)30)28(18-20-10-6-4-7-11-20)19(2)22-12-8-5-9-13-22/h4-16,19,24H,3,17-18H2,1-2H3,(H,29,30)