1H-pyrazol-4-yl 2-[[4-(2-bromoethyloxy)phenyl]methyl]-3-phenyl-propanoate

Systemtic Name: 1H-pyrazol-4-yl 2-[[4-(2-bromoethyloxy)phenyl]methyl]-3-phenyl-propanoate Openeye Name: 1H-pyrazol-4-yl 2-benzyl-3-[4-(2-bromoethoxy)phenyl]propanoate CAS Name: 2-[[4-(2-bromoethoxy)phenyl]methyl]-3-phenylpropanoic acid 1H-pyrazol-4-yl ester IUPAC Name: 1H-pyrazol-4-yl 2-benzyl-3-[4-(2-bromoethoxy)phenyl]propanoate Traditional Name: 2-benzyl-3-[4-(2-bromoethoxy)phenyl]propionic acid 1H-pyrazol-4-yl ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC2=CC=C(C=C2)OCCBr)C(=O)OC3=CNN=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(CC2=CC=C(C=C2)OCCBr)C(=O)OC3=CNN=C3

InChI

InChI=1S/C21H21BrN2O3/c22-10-11-26-19-8-6-17(7-9-19)13-18(12-16-4-2-1-3-5-16)21(25)27-20-14-23-24-15-20/h1-9,14-15,18H,10-13H2,(H,23,24)