3-[[3-[2-(7-chloranylquinolin-2-yl)ethyl]phenyl]-oxidanyl-methyl]benzoic acid

Systemtic Name: 3-[[3-[2-(7-chloranylquinolin-2-yl)ethyl]phenyl]-oxidanyl-methyl]benzoic acid Openeye Name: 3-[[3-[2-(7-chloro-2-quinolyl)ethyl]phenyl]-hydroxy-methyl]benzoic acid CAS Name: 3-[[3-[2-(7-chloro-2-quinolinyl)ethyl]phenyl]-hydroxymethyl]benzoic acid IUPAC Name: 3-[[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-hydroxymethyl]benzoic acid Traditional Name: 3-[[3-[2-(7-chloro-2-quinolyl)ethyl]phenyl]-hydroxy-methyl]benzoic acid Formula: C25H20ClNO3 MolecularWeight: 417.8842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(C2=CC=CC(=C2)C(=O)O)O)CCC3=NC4=C(C=CC(=C4)Cl)C=C3

Isomeric SMILES

C1=CC(=CC(=C1)C(C2=CC=CC(=C2)C(=O)O)O)CCC3=NC4=C(C=CC(=C4)Cl)C=C3

InChI

InChI=1S/C25H20ClNO3/c26-21-10-8-17-9-12-22(27-23(17)15-21)11-7-16-3-1-4-18(13-16)24(28)19-5-2-6-20(14-19)25(29)30/h1-6,8-10,12-15,24,28H,7,11H2,(H,29,30)