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

Systemtic Name: 1-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]urea CAS Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea Traditional Name: 1-benzyl-3-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]urea Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)NC(=O)NCC3=CC=CC=C3)O)C

InChI

InChI=1S/C20H21N3O3/c1-20(2)18(24)17(15-10-14(11-21)8-9-16(15)26-20)23-19(25)22-12-13-6-4-3-5-7-13/h3-10,17-18,24H,12H2,1-2H3,(H2,22,23,25)/t17-,18+/m1/s1