2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-methoxy-phenoxy]acetic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-21(2)7-13(24)19-16(8-21)29-20(23)12(9-22)18(19)11-4-5-14(15(6-11)27-3)28-10-17(25)26/h4-6,18H,7-8,10,23H2,1-3H3,(H,25,26)