2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-quinolin-3-yl]ethanoic acid

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-quinolin-3-yl]ethanoic acid Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-3-quinolyl]acetic acid CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-3-quinolinyl]acetic acid IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenylquinolin-3-yl]acetic acid Traditional Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-3-quinolyl]acetic acid Formula: C26H21NO4 MolecularWeight: 411.44924

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=NC4=CC=CC=C4C(=C3CC(=O)O)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=NC4=CC=CC=C4C(=C3CC(=O)O)C5=CC=CC=C5)OC1

InChI

InChI=1S/C26H21NO4/c28-24(29)16-20-25(17-7-2-1-3-8-17)19-9-4-5-10-21(19)27-26(20)18-11-12-22-23(15-18)31-14-6-13-30-22/h1-5,7-12,15H,6,13-14,16H2,(H,28,29)