1-[(3S,4R)-6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-(2-methylbutan-2-yl)urea

Systemtic Name: 1-[(3S,4R)-6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-(2-methylbutan-2-yl)urea Openeye Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]-3-(1,1-dimethylpropyl)urea CAS Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(2-methylbutan-2-yl)urea IUPAC Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromen-4-yl]-3-(2-methylbutan-2-yl)urea Traditional Name: 1-tert-amyl-3-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]urea Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)NC1C(C(OC2=C1C=C(C=C2)C#N)(COC)COC)O

Isomeric SMILES

CCC(C)(C)NC(=O)N[C@H]1[C@@H](C(OC2=C1C=C(C=C2)C#N)(COC)COC)O

InChI

InChI=1S/C20H29N3O5/c1-6-19(2,3)23-18(25)22-16-14-9-13(10-21)7-8-15(14)28-20(11-26-4,12-27-5)17(16)24/h7-9,16-17,24H,6,11-12H2,1-5H3,(H2,22,23,25)/t16-,17+/m1/s1