(4-pyrazol-1-ylphenyl)methyl (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H17N3O2 MolecularWeight: 355.38928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C=CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)/C=C/C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)N=CC=C2

InChI

InChI=1S/C22H17N3O2/c26-21(12-9-19-5-1-4-18-6-2-13-23-22(18)19)27-16-17-7-10-20(11-8-17)25-15-3-14-24-25/h1-15H,16H2/b12-9+