methyl 2-[2-(4-chlorophenyl)-4-oxidanylidene-3-phenylmethoxy-chromen-6-yl]butanoate

Systemtic Name: methyl 2-[2-(4-chlorophenyl)-4-oxidanylidene-3-phenylmethoxy-chromen-6-yl]butanoate Openeye Name: methyl 2-[3-benzyloxy-2-(4-chlorophenyl)-4-oxo-chromen-6-yl]butanoate CAS Name: 2-[2-(4-chlorophenyl)-4-oxo-3-phenylmethoxy-1-benzopyran-6-yl]butanoic acid methyl ester IUPAC Name: methyl 2-[2-(4-chlorophenyl)-4-oxo-3-phenylmethoxychromen-6-yl]butanoate Traditional Name: 2-[3-benzoxy-2-(4-chlorophenyl)-4-keto-chromen-6-yl]butyric acid methyl ester Formula: C27H23ClO5 MolecularWeight: 462.92152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(=C(C2=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

CCC(C1=CC2=C(C=C1)OC(=C(C2=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C27H23ClO5/c1-3-21(27(30)31-2)19-11-14-23-22(15-19)24(29)26(32-16-17-7-5-4-6-8-17)25(33-23)18-9-12-20(28)13-10-18/h4-15,21H,3,16H2,1-2H3