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

Systemtic Name: 1-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamoylamino]-1,3-dihydroisoindole-2-carboxylic acid Openeye Name: 1-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamoylamino]isoindoline-2-carboxylic acid CAS Name: 1-[[[(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: 1-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamoylamino]-1,3-dihydroisoindole-2-carboxylic acid Traditional Name: 1-[(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)NC3C4=CC=CC=C4CN3C(=O)O)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3C4=CC=CC=C4CN3C(=O)O)O)C

InChI

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