ethyl 6-hexyl-7-oxidanyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate

Systemtic Name: ethyl 6-hexyl-7-oxidanyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate Openeye Name: ethyl 6-hexyl-7-hydroxy-4-oxo-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate CAS Name: 6-hexyl-7-hydroxy-4-oxo-3-(1-phenyl-4-pyrazolyl)-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-hexyl-7-hydroxy-4-oxo-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate Traditional Name: 6-hexyl-7-hydroxy-4-keto-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylic acid ethyl ester Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CN(N=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CN(N=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H28N2O5/c1-3-5-6-8-11-18-14-21-23(15-22(18)30)34-26(27(32)33-4-2)24(25(21)31)19-16-28-29(17-19)20-12-9-7-10-13-20/h7,9-10,12-17,30H,3-6,8,11H2,1-2H3