3-chloranyl-4-oxidanyl-5-[(E)-3-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 3-chloranyl-4-oxidanyl-5-[(E)-3-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]benzoic acid Openeye Name: 3-chloro-4-hydroxy-5-[(E)-3-[4-(2-quinolylmethoxy)phenyl]prop-2-enoyl]benzoic acid CAS Name: 3-chloro-4-hydroxy-5-[(E)-1-oxo-3-[4-(2-quinolinylmethoxy)phenyl]prop-2-enyl]benzoic acid IUPAC Name: 3-chloro-4-hydroxy-5-[(E)-3-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]benzoic acid Traditional Name: 3-chloro-4-hydroxy-5-[(E)-3-[4-(2-quinolylmethoxy)phenyl]acryloyl]benzoic acid Formula: C26H18ClNO5 MolecularWeight: 459.87782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C=CC(=O)C4=C(C(=CC(=C4)C(=O)O)Cl)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)/C=C/C(=O)C4=C(C(=CC(=C4)C(=O)O)Cl)O

InChI

InChI=1S/C26H18ClNO5/c27-22-14-18(26(31)32)13-21(25(22)30)24(29)12-7-16-5-10-20(11-6-16)33-15-19-9-8-17-3-1-2-4-23(17)28-19/h1-14,30H,15H2,(H,31,32)/b12-7+