[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl] ester Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCCC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCCC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O4/c1-34-23-14-7-10-21(17-23)27-24(18-31(29-27)22-12-3-2-4-13-22)28(33)35-19-26(32)30-16-8-11-20-9-5-6-15-25(20)30/h2-7,9-10,12-15,17-18H,8,11,16,19H2,1H3