2-[1-[4-(phenylmethyl)phenyl]carbonylisoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[4-(phenylmethyl)phenyl]carbonylisoquinolin-4-yl]ethanoic acid Openeye Name: 2-[1-(4-benzylbenzoyl)-4-isoquinolyl]acetic acid CAS Name: 2-[1-[oxo-[4-(phenylmethyl)phenyl]methyl]-4-isoquinolinyl]acetic acid IUPAC Name: 2-[1-(4-benzylbenzoyl)isoquinolin-4-yl]acetic acid Traditional Name: 2-[1-(4-benzylbenzoyl)-4-isoquinolyl]acetic acid Formula: C25H19NO3 MolecularWeight: 381.42326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)C3=NC=C(C4=CC=CC=C43)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)C3=NC=C(C4=CC=CC=C43)CC(=O)O

InChI

InChI=1S/C25H19NO3/c27-23(28)15-20-16-26-24(22-9-5-4-8-21(20)22)25(29)19-12-10-18(11-13-19)14-17-6-2-1-3-7-17/h1-13,16H,14-15H2,(H,27,28)