4-[[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxymethyl]benzoic acid Openeye Name: 4-[(3-benzyl-4-methyl-2-oxo-chromen-7-yl)oxymethyl]benzoic acid CAS Name: 4-[[4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxymethyl]benzoic acid IUPAC Name: 4-[(3-benzyl-4-methyl-2-oxochromen-7-yl)oxymethyl]benzoic acid Traditional Name: 4-[(3-benzyl-2-keto-4-methyl-chromen-7-yl)oxymethyl]benzoic acid Formula: C25H20O5 MolecularWeight: 400.4233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C25H20O5/c1-16-21-12-11-20(29-15-18-7-9-19(10-8-18)24(26)27)14-23(21)30-25(28)22(16)13-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3,(H,26,27)