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

Systemtic Name: 2-oxidanyl-3-[(E)-3-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid Openeye Name: 2-hydroxy-3-[(E)-3-[4-[(E)-2-(2-quinolyl)vinyl]phenyl]prop-2-enoyl]benzoic acid CAS Name: 2-hydroxy-3-[(E)-1-oxo-3-[4-[(E)-2-(2-quinolinyl)ethenyl]phenyl]prop-2-enyl]benzoic acid IUPAC Name: 2-hydroxy-3-[(E)-3-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid Traditional Name: 2-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(22-5-3-6-23(26(22)30)27(31)32)17-13-19-10-8-18(9-11-19)12-15-21-16-14-20-4-1-2-7-24(20)28-21/h1-17,30H,(H,31,32)/b15-12+,17-13+