ethyl 4-oxidanylidene-7-phenylmethoxy-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-7-phenylmethoxy-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate Openeye Name: ethyl 7-benzyloxy-4-oxo-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate CAS Name: 4-oxo-7-phenylmethoxy-3-(1-phenyl-4-pyrazolyl)-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-7-phenylmethoxy-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate Traditional Name: 7-benzoxy-4-keto-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylic acid ethyl ester Formula: C28H22N2O5 MolecularWeight: 466.48468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3)C4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3)C4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H22N2O5/c1-2-33-28(32)27-25(20-16-29-30(17-20)21-11-7-4-8-12-21)26(31)23-14-13-22(15-24(23)35-27)34-18-19-9-5-3-6-10-19/h3-17H,2,18H2,1H3