3-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(1-methyl-3-propan-2-yl-4-pyrazolyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]-3-(2-thienyl)propionic acid Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1CNC(CC(=O)O)C2=CC=CS2)C

Isomeric SMILES

CC(C)C1=NN(C=C1CNC(CC(=O)O)C2=CC=CS2)C

InChI

InChI=1S/C15H21N3O2S/c1-10(2)15-11(9-18(3)17-15)8-16-12(7-14(19)20)13-5-4-6-21-13/h4-6,9-10,12,16H,7-8H2,1-3H3,(H,19,20)