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

Systemtic Name: 2-oxidanyl-3-[(E)-3-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid Openeye Name: 2-hydroxy-3-[(E)-3-[3-[(E)-2-(2-quinolyl)vinyl]phenyl]prop-2-enoyl]benzoic acid CAS Name: 2-hydroxy-3-[(E)-1-oxo-3-[3-[(E)-2-(2-quinolinyl)ethenyl]phenyl]prop-2-enyl]benzoic acid IUPAC Name: 2-hydroxy-3-[(E)-3-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid Traditional Name: 2-hydroxy-3-[(E)-3-[3-[(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(=CC=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(=CC=C3)/C=C/C(=O)C4=C(C(=CC=C4)C(=O)O)O

InChI

InChI=1S/C27H19NO4/c29-25(22-8-4-9-23(26(22)30)27(31)32)16-12-19-6-3-5-18(17-19)11-14-21-15-13-20-7-1-2-10-24(20)28-21/h1-17,30H,(H,31,32)/b14-11+,16-12+