ethyl 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylate

Systemtic Name: ethyl 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylate Openeye Name: ethyl 2-[(E)-2-(2,5-dimethylphenyl)vinyl]-4-oxo-3-propyl-chromene-6-carboxylate CAS Name: 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-4-oxo-3-propyl-1-benzopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-4-oxo-3-propylchromene-6-carboxylate Traditional Name: 2-[(E)-2-(2,5-dimethylphenyl)vinyl]-4-keto-3-propyl-chromene-6-carboxylic acid ethyl ester Formula: C25H26O4 MolecularWeight: 390.47154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)OCC)C=CC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)OCC)/C=C/C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C25H26O4/c1-5-7-20-22(12-10-18-14-16(3)8-9-17(18)4)29-23-13-11-19(25(27)28-6-2)15-21(23)24(20)26/h8-15H,5-7H2,1-4H3/b12-10+