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

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

CC(C(=O)O)N1C=CC(=N1)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H](C(=O)O)N1C=CC(=N1)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H17N3O3/c1-11(16(21)22)19-9-7-14(17-19)15(20)18-8-6-12-4-2-3-5-13(12)10-18/h2-5,7,9,11H,6,8,10H2,1H3,(H,21,22)/t11-/m1/s1