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

Systemtic Name: 2-(isoquinolin-3-ylcarbonylamino)-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-(isoquinoline-3-carbonylamino)-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[3-isoquinolinyl(oxo)methyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-(isoquinoline-3-carbonylamino)-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-(isoquinoline-3-carbonylamino)-3-(4-phenylphenyl)propionic acid Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C25H20N2O3/c28-24(22-15-20-8-4-5-9-21(20)16-26-22)27-23(25(29)30)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,15-16,23H,14H2,(H,27,28)(H,29,30)