ethyl 5-(octoxymethoxy)-1-phenyl-4-quinolin-2-yl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(octoxymethoxy)-1-phenyl-4-quinolin-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 5-(octoxymethoxy)-1-phenyl-4-(2-quinolyl)pyrazole-3-carboxylate CAS Name: 5-(octoxymethoxy)-1-phenyl-4-(2-quinolinyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(octoxymethoxy)-1-phenyl-4-quinolin-2-ylpyrazole-3-carboxylate Traditional Name: 5-(octoxymethoxy)-1-phenyl-4-(2-quinolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C30H35N3O4 MolecularWeight: 501.6166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCOC1=C(C(=NN1C2=CC=CC=C2)C(=O)OCC)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCCCCCOCOC1=C(C(=NN1C2=CC=CC=C2)C(=O)OCC)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H35N3O4/c1-3-5-6-7-8-14-21-35-22-37-29-27(26-20-19-23-15-12-13-18-25(23)31-26)28(30(34)36-4-2)32-33(29)24-16-10-9-11-17-24/h9-13,15-20H,3-8,14,21-22H2,1-2H3