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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)C(=O)C=CC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)C(=O)/C=C/C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H21NO5/c1-32-26-15-10-20(27(30)31)16-23(26)25(29)14-8-18-6-12-22(13-7-18)33-17-21-11-9-19-4-2-3-5-24(19)28-21/h2-16H,17H2,1H3,(H,30,31)/b14-8+