2-[3-(3,3-diethyl-1-phenyl-2-benzofuran-1-yl)propyl-methyl-amino]propanoic acid

Systemtic Name: 2-[3-(3,3-diethyl-1-phenyl-2-benzofuran-1-yl)propyl-methyl-amino]propanoic acid Openeye Name: 2-[3-(3,3-diethyl-1-phenyl-isobenzofuran-1-yl)propyl-methyl-amino]propanoic acid CAS Name: 2-[3-(3,3-diethyl-1-phenyl-1-isobenzofuranyl)propyl-methylamino]propanoic acid IUPAC Name: 2-[3-(3,3-diethyl-1-phenyl-2-benzofuran-1-yl)propyl-methylamino]propanoic acid Traditional Name: 2-[3-(3,3-diethyl-1-phenyl-phthalan-1-yl)propyl-methyl-amino]propionic acid Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2C(O1)(CCCN(C)C(C)C(=O)O)C3=CC=CC=C3)CC

Isomeric SMILES

CCC1(C2=CC=CC=C2C(O1)(CCCN(C)C(C)C(=O)O)C3=CC=CC=C3)CC

InChI

InChI=1S/C25H33NO3/c1-5-24(6-2)21-15-10-11-16-22(21)25(29-24,20-13-8-7-9-14-20)17-12-18-26(4)19(3)23(27)28/h7-11,13-16,19H,5-6,12,17-18H2,1-4H3,(H,27,28)