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

Systemtic Name: 2-(methylamino)-2-[(3-methyl-1-phenyl-3H-2-benzofuran-1-yl)methyl]pentanoic acid Openeye Name: 2-(methylamino)-2-[(3-methyl-1-phenyl-3H-isobenzofuran-1-yl)methyl]pentanoic acid CAS Name: 2-(methylamino)-2-[(3-methyl-1-phenyl-3H-isobenzofuran-1-yl)methyl]pentanoic acid IUPAC Name: 2-(methylamino)-2-[(3-methyl-1-phenyl-3H-2-benzofuran-1-yl)methyl]pentanoic acid Traditional Name: 2-(methylamino)-2-[(3-methyl-1-phenyl-phthalan-1-yl)methyl]valeric acid Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3/c1-4-14-21(23-3,20(24)25)15-22(17-10-6-5-7-11-17)19-13-9-8-12-18(19)16(2)26-22/h5-13,16,23H,4,14-15H2,1-3H3,(H,24,25)