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

Systemtic Name: 1-[(3S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-methyl-urea Openeye Name: 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-methyl-urea CAS Name: 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-methylurea IUPAC Name: 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methylurea Traditional Name: 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-methyl-urea Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC)O)C

InChI

InChI=1S/C14H17N3O3/c1-14(2)12(18)11(17-13(19)16-3)9-6-8(7-15)4-5-10(9)20-14/h4-6,11-12,18H,1-3H3,(H2,16,17,19)/t11?,12-/m0/s1