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

Systemtic Name: 2-[[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]anilino)acetic acid CAS Name: 2-(N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]anilino)acetic acid IUPAC Name: 2-(N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]anilino)acetic acid Traditional Name: 2-(N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]anilino)acetic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC(=O)O)C3=CC=CC=C3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N(CC(=O)O)C3=CC=CC=C3)O)C

InChI

InChI=1S/C20H20N2O4/c1-20(2)19(25)18(15-10-13(11-21)8-9-16(15)26-20)22(12-17(23)24)14-6-4-3-5-7-14/h3-10,18-19,25H,12H2,1-2H3,(H,23,24)/t18-,19+/m1/s1