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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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