3-(4-chlorophenyl)-2-(isoquinolin-3-ylcarbonylamino)propanoic acid

Systemtic Name: 3-(4-chlorophenyl)-2-(isoquinolin-3-ylcarbonylamino)propanoic acid Openeye Name: 3-(4-chlorophenyl)-2-(isoquinoline-3-carbonylamino)propanoic acid CAS Name: 3-(4-chlorophenyl)-2-[[3-isoquinolinyl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-(4-chlorophenyl)-2-(isoquinoline-3-carbonylamino)propanoic acid Traditional Name: 3-(4-chlorophenyl)-2-(isoquinoline-3-carbonylamino)propionic acid Formula: C19H15ClN2O3 MolecularWeight: 354.787

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H15ClN2O3/c20-15-7-5-12(6-8-15)9-17(19(24)25)22-18(23)16-10-13-3-1-2-4-14(13)11-21-16/h1-8,10-11,17H,9H2,(H,22,23)(H,24,25)