2-[3-[(4-cyanophenyl)methyl]-4,7-dimethyl-2-oxidanylidene-chromen-5-yl]oxyethanoic acid

Systemtic Name: 2-[3-[(4-cyanophenyl)methyl]-4,7-dimethyl-2-oxidanylidene-chromen-5-yl]oxyethanoic acid Openeye Name: 2-[3-[(4-cyanophenyl)methyl]-4,7-dimethyl-2-oxo-chromen-5-yl]oxyacetic acid CAS Name: 2-[[3-[(4-cyanophenyl)methyl]-4,7-dimethyl-2-oxo-1-benzopyran-5-yl]oxy]acetic acid IUPAC Name: 2-[3-[(4-cyanophenyl)methyl]-4,7-dimethyl-2-oxochromen-5-yl]oxyacetic acid Traditional Name: 2-[3-(4-cyanobenzyl)-2-keto-4,7-dimethyl-chromen-5-yl]oxyacetic acid Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=C(C=C3)C#N)C)C(=C1)OCC(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=C(C=C3)C#N)C)C(=C1)OCC(=O)O

InChI

InChI=1S/C21H17NO5/c1-12-7-17(26-11-19(23)24)20-13(2)16(21(25)27-18(20)8-12)9-14-3-5-15(10-22)6-4-14/h3-8H,9,11H2,1-2H3,(H,23,24)