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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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