2-[(3,3-diethyl-1-phenyl-2-benzofuran-1-yl)methyl]-2-(methylamino)pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1(C2=CC=CC=C2C(O1)(CC)CC)C3=CC=CC=C3)(C(=O)O)NC

Isomeric SMILES

CCCC(CC1(C2=CC=CC=C2C(O1)(CC)CC)C3=CC=CC=C3)(C(=O)O)NC

InChI

InChI=1S/C25H33NO3/c1-5-17-23(26-4,22(27)28)18-25(19-13-9-8-10-14-19)21-16-12-11-15-20(21)24(6-2,7-3)29-25/h8-16,26H,5-7,17-18H2,1-4H3,(H,27,28)