3-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazol-1-yl]propionic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=NN(C=C3)CCC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=NN(C=C3)CCC(=O)O

InChI

InChI=1S/C16H17N3O3/c20-15(21)7-10-19-9-6-14(17-19)16(22)18-8-5-12-3-1-2-4-13(12)11-18/h1-4,6,9H,5,7-8,10-11H2,(H,20,21)