5-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamoylamino]-1,3-dihydroisoindole-2-carboxylic acid

Systemtic Name: 5-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamoylamino]-1,3-dihydroisoindole-2-carboxylic acid Openeye Name: 5-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamoylamino]isoindoline-2-carboxylic acid CAS Name: 5-[[[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-oxomethyl]amino]-1,3-dihydroisoindole-2-carboxylic acid IUPAC Name: 5-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamoylamino]-1,3-dihydroisoindole-2-carboxylic acid Traditional Name: 5-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamoylamino]isoindoline-2-carboxylic acid Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC4=C(CN(C4)C(=O)O)C=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC4=C(CN(C4)C(=O)O)C=C3)O)C

InChI

InChI=1S/C22H22N4O5/c1-22(2)19(27)18(16-7-12(9-23)3-6-17(16)31-22)25-20(28)24-15-5-4-13-10-26(21(29)30)11-14(13)8-15/h3-8,18-19,27H,10-11H2,1-2H3,(H,29,30)(H2,24,25,28)