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

Systemtic Name: ethyl 2-[[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]amino]acetate CAS Name: 2-[[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]amino]acetate Traditional Name: 2-[[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]amino]acetic acid ethyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O

Isomeric SMILES

CCOC(=O)CN[C@@H]1[C@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O

InChI

InChI=1S/C16H20N2O4/c1-4-21-13(19)9-18-14-11-7-10(8-17)5-6-12(11)22-16(2,3)15(14)20/h5-7,14-15,18,20H,4,9H2,1-3H3/t14-,15+/m0/s1