(4-methyl-2-oxidanylidene-chromen-7-yl) 4-(5-pentylpyridin-2-yl)benzoate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-(5-pentylpyridin-2-yl)benzoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-(5-pentyl-2-pyridyl)benzoate CAS Name: 4-(5-pentyl-2-pyridinyl)benzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-(5-pentylpyridin-2-yl)benzoate Traditional Name: 4-(5-amyl-2-pyridyl)benzoic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C27H25NO4/c1-3-4-5-6-19-7-14-24(28-17-19)20-8-10-21(11-9-20)27(30)31-22-12-13-23-18(2)15-26(29)32-25(23)16-22/h7-17H,3-6H2,1-2H3