methyl 4-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)-1H-pyrazol-5-yl]benzoate

Systemtic Name: methyl 4-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)-1H-pyrazol-5-yl]benzoate Openeye Name: methyl 4-[3-(1,1,2,3,3-pentamethylindan-5-yl)-1H-pyrazol-5-yl]benzoate CAS Name: 4-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)-1H-pyrazol-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)-1H-pyrazol-5-yl]benzoate Traditional Name: 4-[3-(1,1,2,3,3-pentamethylindan-5-yl)-1H-pyrazol-5-yl]benzoic acid methyl ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(C1(C)C)C=C(C=C2)C3=NNC(=C3)C4=CC=C(C=C4)C(=O)OC)(C)C

Isomeric SMILES

CC1C(C2=C(C1(C)C)C=C(C=C2)C3=NNC(=C3)C4=CC=C(C=C4)C(=O)OC)(C)C

InChI

InChI=1S/C25H28N2O2/c1-15-24(2,3)19-12-11-18(13-20(19)25(15,4)5)22-14-21(26-27-22)16-7-9-17(10-8-16)23(28)29-6/h7-15H,1-6H3,(H,26,27)