(E)-3-[2-[2-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)ethoxy]-4-(1,2,3-triazol-1-ylmethyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[2-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)ethoxy]-4-(1,2,3-triazol-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[2-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)ethoxy]-4-(triazol-1-ylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)ethoxy]-4-(1-triazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]-4-(triazol-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[2-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)ethoxy]-4-(triazol-1-ylmethyl)phenyl]acrylic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(OC2=C1C)(C)CCOC3=C(C=CC(=C3)CN4C=CN=N4)C=CC(=O)O)C)O

Isomeric SMILES

CC1=C(C(=C2CCC(OC2=C1C)(C)CCOC3=C(C=CC(=C3)CN4C=CN=N4)/C=C/C(=O)O)C)O

InChI

InChI=1S/C27H31N3O5/c1-17-18(2)26-22(19(3)25(17)33)9-10-27(4,35-26)11-14-34-23-15-20(16-30-13-12-28-29-30)5-6-21(23)7-8-24(31)32/h5-8,12-13,15,33H,9-11,14,16H2,1-4H3,(H,31,32)/b8-7+