(3R,4S)-4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-phenyl-amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3R,4S)-4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-phenyl-amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-4-[N-[2-(1,3-dioxoisoindolin-2-yl)ethyl]anilino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3R,4S)-4-[N-[2-(1,3-dioxo-2-isoindolyl)ethyl]anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-4-[N-[2-(1,3-dioxoisoindol-2-yl)ethyl]anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-[N-(2-phthalimidoethyl)anilino]chroman-6-carbonitrile Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N(CCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5)O)C

InChI

InChI=1S/C28H25N3O4/c1-28(2)25(32)24(22-16-18(17-29)12-13-23(22)35-28)30(19-8-4-3-5-9-19)14-15-31-26(33)20-10-6-7-11-21(20)27(31)34/h3-13,16,24-25,32H,14-15H2,1-2H3/t24-,25+/m0/s1