2-[2-(4-chlorophenyl)-4-oxidanylidene-3-phenylmethoxy-chromen-6-yl]butanoic acid

Systemtic Name: 2-[2-(4-chlorophenyl)-4-oxidanylidene-3-phenylmethoxy-chromen-6-yl]butanoic acid Openeye Name: 2-[3-benzyloxy-2-(4-chlorophenyl)-4-oxo-chromen-6-yl]butanoic acid CAS Name: 2-[2-(4-chlorophenyl)-4-oxo-3-phenylmethoxy-1-benzopyran-6-yl]butanoic acid IUPAC Name: 2-[2-(4-chlorophenyl)-4-oxo-3-phenylmethoxychromen-6-yl]butanoic acid Traditional Name: 2-[3-benzoxy-2-(4-chlorophenyl)-4-keto-chromen-6-yl]butyric acid Formula: C26H21ClO5 MolecularWeight: 448.89494

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClO5/c1-2-20(26(29)30)18-10-13-22-21(14-18)23(28)25(31-15-16-6-4-3-5-7-16)24(32-22)17-8-11-19(27)12-9-17/h3-14,20H,2,15H2,1H3,(H,29,30)