2-[[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-phenyl-amino]-N-(2-oxidanylideneethyl)ethanamide

Systemtic Name: 2-[[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-phenyl-amino]-N-(2-oxidanylideneethyl)ethanamide Openeye Name: 2-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]anilino)-N-(2-oxoethyl)acetamide CAS Name: 2-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]anilino)-N-(2-oxoethyl)acetamide IUPAC Name: 2-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]anilino)-N-(2-oxoethyl)acetamide Traditional Name: 2-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]anilino)-N-(2-ketoethyl)acetamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC(=O)NCC=O)C3=CC=CC=C3)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N(CC(=O)NCC=O)C3=CC=CC=C3)O)C

InChI

InChI=1S/C22H23N3O4/c1-22(2)21(28)20(17-12-15(13-23)8-9-18(17)29-22)25(14-19(27)24-10-11-26)16-6-4-3-5-7-16/h3-9,11-12,20-21,28H,10,14H2,1-2H3,(H,24,27)/t20-,21+/m0/s1