[(2Z)-2-[(3-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] cyclohexanecarboxylate

Systemtic Name: [(2Z)-2-[(3-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] cyclohexanecarboxylate Openeye Name: [(2Z)-2-(m-tolylmethylene)-3-oxo-benzofuran-6-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [(2Z)-2-[(3-methylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [(2Z)-3-keto-2-(3-methylbenzylidene)coumaran-6-yl] ester Formula: C23H22O4 MolecularWeight: 362.41838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4CCCCC4

InChI

InChI=1S/C23H22O4/c1-15-6-5-7-16(12-15)13-21-22(24)19-11-10-18(14-20(19)27-21)26-23(25)17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9H2,1H3/b21-13-