3-[3-[6-ethyl-7-methyl-4-(methylamino)-3-oxidanylidene-1H-2-benzofuran-5-yl]cyclopenten-1-yl]-2-methyl-2-phenyl-butanoic acid

Systemtic Name: 3-[3-[6-ethyl-7-methyl-4-(methylamino)-3-oxidanylidene-1H-2-benzofuran-5-yl]cyclopenten-1-yl]-2-methyl-2-phenyl-butanoic acid Openeye Name: 3-[3-[6-ethyl-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]cyclopenten-1-yl]-2-methyl-2-phenyl-butanoic acid CAS Name: 3-[3-[6-ethyl-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]-1-cyclopentenyl]-2-methyl-2-phenylbutanoic acid IUPAC Name: 3-[3-[6-ethyl-7-methyl-4-(methylamino)-3-oxo-1H-2-benzofuran-5-yl]cyclopenten-1-yl]-2-methyl-2-phenylbutanoic acid Traditional Name: 3-[3-[6-ethyl-3-keto-7-methyl-4-(methylamino)phthalan-5-yl]cyclopenten-1-yl]-2-methyl-2-phenyl-butyric acid Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1C3CCC(=C3)C(C)C(C)(C4=CC=CC=C4)C(=O)O)NC)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C3CCC(=C3)C(C)C(C)(C4=CC=CC=C4)C(=O)O)NC)C(=O)OC2)C

InChI

InChI=1S/C28H33NO4/c1-6-21-16(2)22-15-33-26(30)24(22)25(29-5)23(21)19-13-12-18(14-19)17(3)28(4,27(31)32)20-10-8-7-9-11-20/h7-11,14,17,19,29H,6,12-13,15H2,1-5H3,(H,31,32)