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

Systemtic Name: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-indolin-1-yl-2-oxo-ethyl) 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-indolin-1-yl-2-keto-ethyl) ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O4/c1-33-22-12-7-9-20(16-22)26-23(17-30(28-26)21-10-3-2-4-11-21)27(32)34-18-25(31)29-15-14-19-8-5-6-13-24(19)29/h2-13,16-17H,14-15,18H2,1H3