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

Systemtic Name: ethyl 2-[[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-phenyl-amino]ethanoate Openeye Name: ethyl 2-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]anilino)acetate CAS Name: 2-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]anilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]anilino)acetate Traditional Name: 2-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]anilino)acetic acid ethyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-4-27-19(25)14-24(16-8-6-5-7-9-16)20-17-12-15(13-23)10-11-18(17)28-22(2,3)21(20)26/h5-12,20-21,26H,4,14H2,1-3H3/t20-,21+/m0/s1