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

Systemtic Name: 2-[2-(2-azanyl-3-methoxycarbonyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-4-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-(2-amino-3-methoxycarbonyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-4-bromo-phenoxy]acetic acid CAS Name: 2-[2-(2-amino-3-methoxycarbonyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-4-bromophenoxy]acetic acid IUPAC Name: 2-[2-(2-amino-3-methoxycarbonyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-4-bromophenoxy]acetic acid Traditional Name: 2-[2-(2-amino-3-carbomethoxy-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-4-bromo-phenoxy]acetic acid Formula: C21H22BrNO7 MolecularWeight: 480.30588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO7/c1-21(2)7-12(24)17-14(8-21)30-19(23)18(20(27)28-3)16(17)11-6-10(22)4-5-13(11)29-9-15(25)26/h4-6,16H,7-9,23H2,1-3H3,(H,25,26)