(4-pyrazol-1-ylphenyl)methyl 2-(1H-indol-3-yl)ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(1H-indol-3-yl)ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(1H-indol-3-yl)acetate CAS Name: 2-(1H-indol-3-yl)acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(1H-indol-3-yl)acetate Traditional Name: 2-(1H-indol-3-yl)acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H17N3O2 MolecularWeight: 331.36788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O2/c24-20(12-16-13-21-19-5-2-1-4-18(16)19)25-14-15-6-8-17(9-7-15)23-11-3-10-22-23/h1-11,13,21H,12,14H2