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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=CC=CC=C1)C(=O)NC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

Isomeric SMILES

CC(=O)NC(C1=CC=CC=C1)C(=O)N[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C#N)(C)C)O

InChI

InChI=1S/C22H23N3O4/c1-13(26)24-18(15-7-5-4-6-8-15)21(28)25-19-16-11-14(12-23)9-10-17(16)29-22(2,3)20(19)27/h4-11,18-20,27H,1-3H3,(H,24,26)(H,25,28)/t18?,19-,20+/m1/s1