3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-2-pyridin-2-yl-oxirane-2-carboxylic acid

Systemtic Name: 3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-2-pyridin-2-yl-oxirane-2-carboxylic acid Openeye Name: 3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(2-pyridyl)oxirane-2-carboxylic acid CAS Name: 3-[3-(6-propan-2-yl-8-quinolinyl)phenyl]-2-(2-pyridinyl)-2-oxiranecarboxylic acid IUPAC Name: 3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-2-pyridin-2-yloxirane-2-carboxylic acid Traditional Name: 3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(2-pyridyl)oxirane-2-carboxylic acid Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C4C(O4)(C5=CC=CC=N5)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C4C(O4)(C5=CC=CC=N5)C(=O)O

InChI

InChI=1S/C26H22N2O3/c1-16(2)20-14-18-9-6-12-28-23(18)21(15-20)17-7-5-8-19(13-17)24-26(31-24,25(29)30)22-10-3-4-11-27-22/h3-16,24H,1-2H3,(H,29,30)