3-chloranyl-N-[(3S,4R)-6-ethanoyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]benzamide

Systemtic Name: 3-chloranyl-N-[(3S,4R)-6-ethanoyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]benzamide Openeye Name: N-[(3S,4R)-6-acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-chloro-benzamide CAS Name: N-[(3S,4R)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-chlorobenzamide IUPAC Name: N-[(3S,4R)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-chlorobenzamide Traditional Name: N-[(3S,4R)-6-acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-chloro-benzamide Formula: C20H20ClNO4 MolecularWeight: 373.8301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OC(C(C2NC(=O)C3=CC(=CC=C3)Cl)O)(C)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OC([C@H]([C@@H]2NC(=O)C3=CC(=CC=C3)Cl)O)(C)C

InChI

InChI=1S/C20H20ClNO4/c1-11(23)12-7-8-16-15(10-12)17(18(24)20(2,3)26-16)22-19(25)13-5-4-6-14(21)9-13/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m1/s1