4-[[[4-[[2-[2,6-bis(chloranyl)phenyl]-4-propan-2-yl-pyrazol-3-yl]methoxy]-2-methyl-phenyl]-methyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[[2-[2,6-bis(chloranyl)phenyl]-4-propan-2-yl-pyrazol-3-yl]methoxy]-2-methyl-phenyl]-methyl-amino]methyl]benzoic acid Openeye Name: 4-[[4-[[2-(2,6-dichlorophenyl)-4-isopropyl-pyrazol-3-yl]methoxy]-N,2-dimethyl-anilino]methyl]benzoic acid CAS Name: 4-[[4-[[2-(2,6-dichlorophenyl)-4-propan-2-yl-3-pyrazolyl]methoxy]-N,2-dimethylanilino]methyl]benzoic acid IUPAC Name: 4-[[4-[[2-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-3-yl]methoxy]-N,2-dimethylanilino]methyl]benzoic acid Traditional Name: 4-[[4-[[2-(2,6-dichlorophenyl)-4-isopropyl-pyrazol-3-yl]methoxy]-N,2-dimethyl-anilino]methyl]benzoic acid Formula: C29H29Cl2N3O3 MolecularWeight: 538.46486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=C(C=NN2C3=C(C=CC=C3Cl)Cl)C(C)C)N(C)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=C(C=NN2C3=C(C=CC=C3Cl)Cl)C(C)C)N(C)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H29Cl2N3O3/c1-18(2)23-15-32-34(28-24(30)6-5-7-25(28)31)27(23)17-37-22-12-13-26(19(3)14-22)33(4)16-20-8-10-21(11-9-20)29(35)36/h5-15,18H,16-17H2,1-4H3,(H,35,36)