5-tert-butyl-2-oxidanyl-3-[(E)-3-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 5-tert-butyl-2-oxidanyl-3-[(E)-3-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid Openeye Name: 5-tert-butyl-2-hydroxy-3-[(E)-3-[3-[(E)-2-(2-quinolyl)vinyl]phenyl]prop-2-enoyl]benzoic acid CAS Name: 5-tert-butyl-2-hydroxy-3-[(E)-1-oxo-3-[3-[(E)-2-(2-quinolinyl)ethenyl]phenyl]prop-2-enyl]benzoic acid IUPAC Name: 5-tert-butyl-2-hydroxy-3-[(E)-3-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid Traditional Name: 5-tert-butyl-2-hydroxy-3-[(E)-3-[3-[(E)-2-(2-quinolyl)vinyl]phenyl]acryloyl]benzoic acid Formula: C31H27NO4 MolecularWeight: 477.55038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(=O)C=CC2=CC=CC(=C2)C=CC3=NC4=CC=CC=C4C=C3)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(=O)/C=C/C2=CC=CC(=C2)/C=C/C3=NC4=CC=CC=C4C=C3)O)C(=O)O

InChI

InChI=1S/C31H27NO4/c1-31(2,3)23-18-25(29(34)26(19-23)30(35)36)28(33)16-12-21-8-6-7-20(17-21)11-14-24-15-13-22-9-4-5-10-27(22)32-24/h4-19,34H,1-3H3,(H,35,36)/b14-11+,16-12+