1-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-(1H-inden-5-yl)urea

Systemtic Name: 1-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-(1H-inden-5-yl)urea Openeye Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-(1H-inden-5-yl)urea CAS Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(1H-inden-5-yl)urea IUPAC Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-inden-5-yl)urea Traditional Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-(1H-inden-5-yl)urea Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC4=C(CC=C4)C=C3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC4=C(CC=C4)C=C3)O)C

InChI

InChI=1S/C22H21N3O3/c1-22(2)20(26)19(17-10-13(12-23)6-9-18(17)28-22)25-21(27)24-16-8-7-14-4-3-5-15(14)11-16/h3,5-11,19-20,26H,4H2,1-2H3,(H2,24,25,27)/t19-,20+/m1/s1