1-[(3S,4R)-6-cyano-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-urea

Systemtic Name: 1-[(3S,4R)-6-cyano-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-urea Openeye Name: 1-[(3S,4R)-6-cyano-3-hydroxy-chroman-4-yl]-3-phenyl-urea CAS Name: 1-[(3S,4R)-6-cyano-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3-phenylurea IUPAC Name: 1-[(3S,4R)-6-cyano-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3-phenylurea Traditional Name: 1-[(3S,4R)-6-cyano-3-hydroxy-chroman-4-yl]-3-phenyl-urea Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC=CC=C3)O

Isomeric SMILES

C1[C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC=CC=C3)O

InChI

InChI=1S/C17H15N3O3/c18-9-11-6-7-15-13(8-11)16(14(21)10-23-15)20-17(22)19-12-4-2-1-3-5-12/h1-8,14,16,21H,10H2,(H2,19,20,22)/t14-,16-/m1/s1