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

Systemtic Name: 1-[(3S,4R)-6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-phenyl-urea Openeye Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]-3-phenyl-urea CAS Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-phenylurea IUPAC Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromen-4-yl]-3-phenylurea Traditional Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]-3-phenyl-urea Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC=CC=C3)O)COC

Isomeric SMILES

COCC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC=CC=C3)O)COC

InChI

InChI=1S/C21H23N3O5/c1-27-12-21(13-28-2)19(25)18(16-10-14(11-22)8-9-17(16)29-21)24-20(26)23-15-6-4-3-5-7-15/h3-10,18-19,25H,12-13H2,1-2H3,(H2,23,24,26)/t18-,19+/m1/s1