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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-22(2)21(27)20(17-13-15(14-23)10-11-18(17)28-22)24(12-6-9-19(25)26)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,20-21,27H,6,9,12H2,1-2H3,(H,25,26)