2-azanyl-2-[3-[[(2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(4-fluorophenyl)amino]methyl]furan-2-yl]propanoic acid

Systemtic Name: 2-azanyl-2-[3-[[(2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(4-fluorophenyl)amino]methyl]furan-2-yl]propanoic acid Openeye Name: 2-amino-2-[3-[(4-fluoro-N-(3-hydroxy-2,2-dimethyl-chroman-4-yl)anilino)methyl]-2-furyl]propanoic acid CAS Name: 2-amino-2-[3-[(4-fluoro-N-(3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)anilino)methyl]-2-furanyl]propanoic acid IUPAC Name: 2-amino-2-[3-[(4-fluoro-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)anilino)methyl]furan-2-yl]propanoic acid Traditional Name: 2-amino-2-[3-[(4-fluoro-N-(3-hydroxy-2,2-dimethyl-chroman-4-yl)anilino)methyl]-2-furyl]propionic acid Formula: C25H27FN2O5 MolecularWeight: 454.490683

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC=CC=C2O1)N(CC3=C(OC=C3)C(C)(C(=O)O)N)C4=CC=C(C=C4)F)O)C

Isomeric SMILES

CC1(C(C(C2=CC=CC=C2O1)N(CC3=C(OC=C3)C(C)(C(=O)O)N)C4=CC=C(C=C4)F)O)C

InChI

InChI=1S/C25H27FN2O5/c1-24(2)21(29)20(18-6-4-5-7-19(18)33-24)28(17-10-8-16(26)9-11-17)14-15-12-13-32-22(15)25(3,27)23(30)31/h4-13,20-21,29H,14,27H2,1-3H3,(H,30,31)