4-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]butanoic acid

Systemtic Name: 4-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]butanoic acid Openeye Name: 4-[3-[(E)-2-(2-quinolyl)vinyl]phenoxy]butanoic acid CAS Name: 4-[3-[(E)-2-(2-quinolinyl)ethenyl]phenoxy]butanoic acid IUPAC Name: 4-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]butanoic acid Traditional Name: 4-[3-[(E)-2-(2-quinolyl)vinyl]phenoxy]butyric acid Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CC(=CC=C3)OCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC(=CC=C3)OCCCC(=O)O

InChI

InChI=1S/C21H19NO3/c23-21(24)9-4-14-25-19-7-3-5-16(15-19)10-12-18-13-11-17-6-1-2-8-20(17)22-18/h1-3,5-8,10-13,15H,4,9,14H2,(H,23,24)/b12-10+