1-[(3R)-6-cyano-2,2-dimethyl-4-oxidanyl-3,4-dihydrochromen-3-yl]-3-propan-2-yl-urea

Systemtic Name: 1-[(3R)-6-cyano-2,2-dimethyl-4-oxidanyl-3,4-dihydrochromen-3-yl]-3-propan-2-yl-urea Openeye Name: 1-[(3R)-6-cyano-4-hydroxy-2,2-dimethyl-chroman-3-yl]-3-isopropyl-urea CAS Name: 1-[(3R)-6-cyano-4-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl]-3-propan-2-ylurea IUPAC Name: 1-[(3R)-6-cyano-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-3-yl]-3-propan-2-ylurea Traditional Name: 1-[(3R)-6-cyano-4-hydroxy-2,2-dimethyl-chroman-3-yl]-3-isopropyl-urea Formula: C16H21N3O3 MolecularWeight: 303.35624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)O

Isomeric SMILES

CC(C)NC(=O)N[C@@H]1C(C2=C(C=CC(=C2)C#N)OC1(C)C)O

InChI

InChI=1S/C16H21N3O3/c1-9(2)18-15(21)19-14-13(20)11-7-10(8-17)5-6-12(11)22-16(14,3)4/h5-7,9,13-14,20H,1-4H3,(H2,18,19,21)/t13?,14-/m1/s1