ethyl 5-[4-(2-methylphenoxy)butanoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[4-(2-methylphenoxy)butanoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[4-(2-methylphenoxy)butanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[4-(2-methylphenoxy)-1-oxobutyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2-methylphenoxy)butanoylamino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[4-(2-methylphenoxy)butanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)CCCOC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)CCCOC4=CC=CC=C4C

InChI

InChI=1S/C26H26N4O4/c1-3-33-26(32)20-17-27-30(23-15-14-19-10-5-6-11-21(19)28-23)25(20)29-24(31)13-8-16-34-22-12-7-4-9-18(22)2/h4-7,9-12,14-15,17H,3,8,13,16H2,1-2H3,(H,29,31)