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

Systemtic Name: 2-[2-(2-azanyl-3-ethoxycarbonyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-4-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-(2-amino-3-ethoxycarbonyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-4-bromo-phenoxy]acetic acid CAS Name: 2-[2-(2-amino-3-ethoxycarbonyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-4-bromophenoxy]acetic acid IUPAC Name: 2-[2-(2-amino-3-ethoxycarbonyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-4-bromophenoxy]acetic acid Traditional Name: 2-[2-(2-amino-3-carbethoxy-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-4-bromo-phenoxy]acetic acid Formula: C22H24BrNO7 MolecularWeight: 494.33246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC(=O)O)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC(=O)O)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C22H24BrNO7/c1-4-29-21(28)19-17(12-7-11(23)5-6-14(12)30-10-16(26)27)18-13(25)8-22(2,3)9-15(18)31-20(19)24/h5-7,17H,4,8-10,24H2,1-3H3,(H,26,27)