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

Systemtic Name: ethyl 3-[[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]anilino)propanoate CAS Name: 3-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]anilino)propanoate Traditional Name: 3-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]anilino)propionic acid ethyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-4-28-20(26)12-13-25(17-8-6-5-7-9-17)21-18-14-16(15-24)10-11-19(18)29-23(2,3)22(21)27/h5-11,14,21-22,27H,4,12-13H2,1-3H3/t21-,22+/m0/s1