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

Systemtic Name: 1-butyl-3-[(3S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]urea Openeye Name: 1-butyl-3-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]urea CAS Name: 1-butyl-3-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]urea IUPAC Name: 1-butyl-3-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea Traditional Name: 1-butyl-3-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]urea Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O

Isomeric SMILES

CCCCNC(=O)NC1[C@@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O

InChI

InChI=1S/C17H23N3O3/c1-4-5-8-19-16(22)20-14-12-9-11(10-18)6-7-13(12)23-17(2,3)15(14)21/h6-7,9,14-15,21H,4-5,8H2,1-3H3,(H2,19,20,22)/t14?,15-/m0/s1