2-[(4-methylphenyl)methyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]amino]ethanoic acid

Systemtic Name: 2-[(4-methylphenyl)methyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]amino]ethanoic acid Openeye Name: 2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl-(p-tolylmethyl)amino]acetic acid CAS Name: 2-[(4-methylphenyl)methyl-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]acetic acid IUPAC Name: 2-[(4-methylphenyl)methyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]amino]acetic acid Traditional Name: 2-[(4-methylbenzyl)-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amino]acetic acid Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C24H23N3O2S/c1-18-9-11-19(12-10-18)14-26(17-23(28)29)15-20-16-27(21-6-3-2-4-7-21)25-24(20)22-8-5-13-30-22/h2-13,16H,14-15,17H2,1H3,(H,28,29)