(4-pyrazol-1-ylphenyl)methyl 4-(1H-indol-3-yl)butanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-(1H-indol-3-yl)butanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H21N3O2/c26-22(8-3-5-18-15-23-21-7-2-1-6-20(18)21)27-16-17-9-11-19(12-10-17)25-14-4-13-24-25/h1-2,4,6-7,9-15,23H,3,5,8,16H2