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

Systemtic Name: butyl 2-[[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-phenyl-amino]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=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/C24H28N2O4/c1-4-5-13-29-21(27)16-26(18-9-7-6-8-10-18)22-19-14-17(15-25)11-12-20(19)30-24(2,3)23(22)28/h6-12,14,22-23,28H,4-5,13,16H2,1-3H3/t22-,23+/m0/s1