phenethyl 2-[2-(4-chlorophenyl)-6-ethyl-4-oxidanylidene-chromen-3-yl]oxyethanoate

Systemtic Name: phenethyl 2-[2-(4-chlorophenyl)-6-ethyl-4-oxidanylidene-chromen-3-yl]oxyethanoate Openeye Name: phenethyl 2-[2-(4-chlorophenyl)-6-ethyl-4-oxo-chromen-3-yl]oxyacetate CAS Name: 2-[[2-(4-chlorophenyl)-6-ethyl-4-oxo-1-benzopyran-3-yl]oxy]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[2-(4-chlorophenyl)-6-ethyl-4-oxochromen-3-yl]oxyacetate Traditional Name: 2-[2-(4-chlorophenyl)-6-ethyl-4-keto-chromen-3-yl]oxyacetic acid phenethyl ester Formula: C27H23ClO5 MolecularWeight: 462.92152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C(C2=O)OCC(=O)OCCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C(C2=O)OCC(=O)OCCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H23ClO5/c1-2-18-8-13-23-22(16-18)25(30)27(26(33-23)20-9-11-21(28)12-10-20)32-17-24(29)31-15-14-19-6-4-3-5-7-19/h3-13,16H,2,14-15,17H2,1H3