2-[2-(2-ethoxy-3-methoxy-phenyl)cyclopropyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylic acid

Systemtic Name: 2-[2-(2-ethoxy-3-methoxy-phenyl)cyclopropyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylic acid Openeye Name: 2-[2-(2-ethoxy-3-methoxy-phenyl)cyclopropyl]-4-oxo-3-propyl-chromene-6-carboxylic acid CAS Name: 2-[2-(2-ethoxy-3-methoxyphenyl)cyclopropyl]-4-oxo-3-propyl-1-benzopyran-6-carboxylic acid IUPAC Name: 2-[2-(2-ethoxy-3-methoxyphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylic acid Traditional Name: 2-[2-(2-ethoxy-3-methoxy-phenyl)cyclopropyl]-4-keto-3-propyl-chromene-6-carboxylic acid Formula: C25H26O6 MolecularWeight: 422.47034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)C3CC3C4=C(C(=CC=C4)OC)OCC

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)C3CC3C4=C(C(=CC=C4)OC)OCC

InChI

InChI=1S/C25H26O6/c1-4-7-16-22(26)19-12-14(25(27)28)10-11-20(19)31-23(16)18-13-17(18)15-8-6-9-21(29-3)24(15)30-5-2/h6,8-12,17-18H,4-5,7,13H2,1-3H3,(H,27,28)