6-azanyl-7-[(6-azanyl-8-carboxy-5-cyano-3,3-dimethyl-1,4-dihydroisochromen-7-yl)carbonyloxycarbonyl]-5-cyano-3,3-dimethyl-1,4-dihydroisochromene-8-carboxylic acid

Systemtic Name: 6-azanyl-7-[(6-azanyl-8-carboxy-5-cyano-3,3-dimethyl-1,4-dihydroisochromen-7-yl)carbonyloxycarbonyl]-5-cyano-3,3-dimethyl-1,4-dihydroisochromene-8-carboxylic acid Openeye Name: 6-amino-7-(6-amino-8-carboxy-5-cyano-3,3-dimethyl-isochromane-7-carbonyl)oxycarbonyl-5-cyano-3,3-dimethyl-isochromane-8-carboxylic acid CAS Name: 6-amino-7-[[(6-amino-8-carboxy-5-cyano-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethoxy]-oxomethyl]-5-cyano-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-8-carboxylic acid IUPAC Name: 6-amino-7-(6-amino-8-carboxy-5-cyano-3,3-dimethyl-1,4-dihydroisochromene-7-carbonyl)oxycarbonyl-5-cyano-3,3-dimethyl-1,4-dihydroisochromene-8-carboxylic acid Traditional Name: 6-amino-7-(6-amino-8-carboxy-5-cyano-3,3-dimethyl-isochroman-7-carbonyl)oxycarbonyl-5-cyano-3,3-dimethyl-isochroman-8-carboxylic acid Formula: C28H26N4O9 MolecularWeight: 562.52744

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=C(C(=C2CO1)C(=O)O)C(=O)OC(=O)C3=C(C(=C4CC(OCC4=C3C(=O)O)(C)C)C#N)N)N)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=C(C(=C2CO1)C(=O)O)C(=O)OC(=O)C3=C(C(=C4CC(OCC4=C3C(=O)O)(C)C)C#N)N)N)C#N)C

InChI

InChI=1S/C28H26N4O9/c1-27(2)5-11-13(7-29)21(31)19(17(23(33)34)15(11)9-39-27)25(37)41-26(38)20-18(24(35)36)16-10-40-28(3,4)6-12(16)14(8-30)22(20)32/h5-6,9-10,31-32H2,1-4H3,(H,33,34)(H,35,36)