3-[2-[7-(3-chloranylquinolin-2-yl)heptyl]phenyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[2-[7-(3-chloranylquinolin-2-yl)heptyl]phenyl]oxirane-2-carboxylic acid Openeye Name: 3-[2-[7-(3-chloro-2-quinolyl)heptyl]phenyl]oxirane-2-carboxylic acid CAS Name: 3-[2-[7-(3-chloro-2-quinolinyl)heptyl]phenyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[2-[7-(3-chloroquinolin-2-yl)heptyl]phenyl]oxirane-2-carboxylic acid Traditional Name: 3-[2-[7-(3-chloro-2-quinolyl)heptyl]phenyl]oxirane-2-carboxylic acid Formula: C25H26ClNO3 MolecularWeight: 423.93184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)CCCCCCCC3=CC=CC=C3C4C(O4)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)CCCCCCCC3=CC=CC=C3C4C(O4)C(=O)O)Cl

InChI

InChI=1S/C25H26ClNO3/c26-20-16-18-12-7-9-14-21(18)27-22(20)15-5-3-1-2-4-10-17-11-6-8-13-19(17)23-24(30-23)25(28)29/h6-9,11-14,16,23-24H,1-5,10,15H2,(H,28,29)