3-[[4-[[3-[3,5-bis(chloranyl)phenyl]-5-(4-bromophenyl)pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[3-[3,5-bis(chloranyl)phenyl]-5-(4-bromophenyl)pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[5-(4-bromophenyl)-3-(3,5-dichlorophenyl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-1-pyrazolyl]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[5-(4-bromophenyl)-3-(3,5-dichlorophenyl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[5-(4-bromophenyl)-3-(3,5-dichlorophenyl)pyrazol-1-yl]methyl]benzoyl]amino]propionic acid Formula: C26H20BrCl2N3O3 MolecularWeight: 573.2653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=CC(=N2)C3=CC(=CC(=C3)Cl)Cl)C4=CC=C(C=C4)Br)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C(=CC(=N2)C3=CC(=CC(=C3)Cl)Cl)C4=CC=C(C=C4)Br)C(=O)NCCC(=O)O

InChI

InChI=1S/C26H20BrCl2N3O3/c27-20-7-5-17(6-8-20)24-14-23(19-11-21(28)13-22(29)12-19)31-32(24)15-16-1-3-18(4-2-16)26(35)30-10-9-25(33)34/h1-8,11-14H,9-10,15H2,(H,30,35)(H,33,34)