3-[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]propanoic acid

Systemtic Name: 3-[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]propanoic acid Openeye Name: 3-(3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl)propanoic acid CAS Name: 3-[4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl]propanoic acid IUPAC Name: 3-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)propanoic acid Traditional Name: 3-(3-benzyl-2-keto-4,7-dimethyl-chromen-5-yl)propionic acid Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C(C(=O)OC2=C1)CC3=CC=CC=C3)C)CCC(=O)O

Isomeric SMILES

CC1=CC(=C2C(=C(C(=O)OC2=C1)CC3=CC=CC=C3)C)CCC(=O)O

InChI

InChI=1S/C21H20O4/c1-13-10-16(8-9-19(22)23)20-14(2)17(21(24)25-18(20)11-13)12-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,23)