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

Systemtic Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=NN(C=C3OC)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)COC(=O)C3=NN(C=C3OC)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4/c1-15-12-16-8-6-7-11-18(16)25(15)20(26)14-29-22(27)21-19(28-2)13-24(23-21)17-9-4-3-5-10-17/h3-11,13,15H,12,14H2,1-2H3/t15-/m0/s1