1-[2-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-5-yl]urea

Systemtic Name: 1-[2-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-5-yl]urea Openeye Name: [2-benzyl-2-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)isoindolin-2-ium-5-yl]urea CAS Name: [2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-5-yl]urea IUPAC Name: [2-benzyl-2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydroisoindol-2-ium-5-yl]urea Traditional Name: [2-benzyl-2-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)isoindolin-2-ium-5-yl]urea Formula: C28H29N4O3+ MolecularWeight: 469.55486

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)[N+]3(CC4=C(C3)C=C(C=C4)NC(=O)N)CC5=CC=CC=C5)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)[N+]3(CC4=C(C3)C=C(C=C4)NC(=O)N)CC5=CC=CC=C5)O)C

InChI

InChI=1S/C28H28N4O3/c1-28(2)26(33)25(23-12-19(14-29)8-11-24(23)35-28)32(15-18-6-4-3-5-7-18)16-20-9-10-22(31-27(30)34)13-21(20)17-32/h3-13,25-26,33H,15-17H2,1-2H3,(H2-,30,31,34)/p+1