4-oxidanyl-3-[(E)-3-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-oxidanyl-3-[(E)-3-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-hydroxy-3-[(E)-3-[4-[(E)-2-(2-quinolyl)vinyl]phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-hydroxy-3-[(E)-1-oxo-3-[4-[(E)-2-(2-quinolinyl)ethenyl]phenyl]prop-2-enyl]benzoic acid IUPAC Name: 4-hydroxy-3-[(E)-3-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-hydroxy-3-[(E)-3-[4-[(E)-2-(2-quinolyl)vinyl]phenyl]acryloyl]benzoic acid Formula: C27H19NO4 MolecularWeight: 421.44406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CC=C(C=C3)C=CC(=O)C4=C(C=CC(=C4)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC=C(C=C3)/C=C/C(=O)C4=C(C=CC(=C4)C(=O)O)O

InChI

InChI=1S/C27H19NO4/c29-25(23-17-21(27(31)32)12-16-26(23)30)15-10-19-7-5-18(6-8-19)9-13-22-14-11-20-3-1-2-4-24(20)28-22/h1-17,30H,(H,31,32)/b13-9+,15-10+