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

Systemtic Name: ethyl 4-[[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-phenyl-amino]butanoate Openeye Name: ethyl 4-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]anilino)butanoate CAS Name: 4-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]anilino)butanoic acid ethyl ester IUPAC Name: ethyl 4-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]anilino)butanoate Traditional Name: 4-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]anilino)butyric acid ethyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4/c1-4-29-21(27)11-8-14-26(18-9-6-5-7-10-18)22-19-15-17(16-25)12-13-20(19)30-24(2,3)23(22)28/h5-7,9-10,12-13,15,22-23,28H,4,8,11,14H2,1-3H3/t22-,23+/m0/s1