3-phenylpropyl 2-[2-(4-chlorophenyl)-7-methyl-4-oxidanylidene-chromen-3-yl]oxyethanoate

Systemtic Name: 3-phenylpropyl 2-[2-(4-chlorophenyl)-7-methyl-4-oxidanylidene-chromen-3-yl]oxyethanoate Openeye Name: 3-phenylpropyl 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-chromen-3-yl]oxyacetate CAS Name: 2-[[2-(4-chlorophenyl)-7-methyl-4-oxo-1-benzopyran-3-yl]oxy]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxyacetate Traditional Name: 2-[2-(4-chlorophenyl)-4-keto-7-methyl-chromen-3-yl]oxyacetic acid 3-phenylpropyl ester Formula: C27H23ClO5 MolecularWeight: 462.92152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)OCC(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)OCC(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C27H23ClO5/c1-18-9-14-22-23(16-18)33-26(20-10-12-21(28)13-11-20)27(25(22)30)32-17-24(29)31-15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3