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

Systemtic Name: (2S)-2-[methyl-[3-(3-methyl-1-phenyl-3H-2-benzofuran-1-yl)propyl]amino]propanoic acid Openeye Name: (2S)-2-[methyl-[3-(3-methyl-1-phenyl-3H-isobenzofuran-1-yl)propyl]amino]propanoic acid CAS Name: (2S)-2-[methyl-[3-(3-methyl-1-phenyl-3H-isobenzofuran-1-yl)propyl]amino]propanoic acid IUPAC Name: (2S)-2-[methyl-[3-(3-methyl-1-phenyl-3H-2-benzofuran-1-yl)propyl]amino]propanoic acid Traditional Name: (2S)-2-[methyl-[3-(3-methyl-1-phenyl-phthalan-1-yl)propyl]amino]propionic acid Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C(O1)(CCCN(C)C(C)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1C2=CC=CC=C2C(O1)(CCCN(C)[C@@H](C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO3/c1-16(21(24)25)23(3)15-9-14-22(18-10-5-4-6-11-18)20-13-8-7-12-19(20)17(2)26-22/h4-8,10-13,16-17H,9,14-15H2,1-3H3,(H,24,25)/t16-,17?,22?/m0/s1