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

Systemtic Name: [[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-ethanoyl-amino] ethanoate Openeye Name: [acetyl-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]amino] acetate CAS Name: acetic acid [acetyl-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]amino] ester IUPAC Name: [acetyl-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]amino] acetate Traditional Name: acetic acid [acetyl-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]amino] ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5/c1-9(19)18(23-10(2)20)14-12-7-11(8-17)5-6-13(12)22-16(3,4)15(14)21/h5-7,14-15,21H,1-4H3/t14-,15+/m0/s1