[[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-phenylmethoxy-amino] ethanoate

Systemtic Name: [[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-phenylmethoxy-amino] ethanoate Openeye Name: [benzyloxy-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]amino] acetate CAS Name: acetic acid [[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-phenylmethoxyamino] ester IUPAC Name: [[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-phenylmethoxyamino] acetate Traditional Name: acetic acid [benzoxy-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]amino] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)ON([C@H]1[C@@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5/c1-14(24)28-23(26-13-15-7-5-4-6-8-15)19-17-11-16(12-22)9-10-18(17)27-21(2,3)20(19)25/h4-11,19-20,25H,13H2,1-3H3/t19-,20+/m1/s1