2-[isoquinolin-1-yl(phenyl)methyl]-3-oxidanylidene-3-phenyl-propanoic acid

Systemtic Name: 2-[isoquinolin-1-yl(phenyl)methyl]-3-oxidanylidene-3-phenyl-propanoic acid Openeye Name: 2-benzoyl-3-(1-isoquinolyl)-3-phenyl-propanoic acid CAS Name: 2-benzoyl-3-(1-isoquinolinyl)-3-phenylpropanoic acid IUPAC Name: 2-benzoyl-3-isoquinolin-1-yl-3-phenylpropanoic acid Traditional Name: 2-benzoyl-3-(1-isoquinolyl)-3-phenyl-propionic acid Formula: C25H19NO3 MolecularWeight: 381.42326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)C(C(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)C(C(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H19NO3/c27-24(19-12-5-2-6-13-19)22(25(28)29)21(18-10-3-1-4-11-18)23-20-14-8-7-9-17(20)15-16-26-23/h1-16,21-22H,(H,28,29)