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

Systemtic Name: 3-methyl-4-oxidanyl-5-[(E)-3-[3-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-hydroxy-3-methyl-5-[(E)-3-[3-(2-quinolylmethoxy)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-hydroxy-3-methyl-5-[(E)-1-oxo-3-[3-(2-quinolinylmethoxy)phenyl]prop-2-enyl]benzoic acid IUPAC Name: 4-hydroxy-3-methyl-5-[(E)-3-[3-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-hydroxy-3-methyl-5-[(E)-3-[3-(2-quinolylmethoxy)phenyl]acryloyl]benzoic acid Formula: C27H21NO5 MolecularWeight: 439.45934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C(=O)C=CC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C(=O)/C=C/C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C27H21NO5/c1-17-13-20(27(31)32)15-23(26(17)30)25(29)12-9-18-5-4-7-22(14-18)33-16-21-11-10-19-6-2-3-8-24(19)28-21/h2-15,30H,16H2,1H3,(H,31,32)/b12-9+