[7-acetamido-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-2-oxidanylidene-quinolin-3-yl] ethanoate

Systemtic Name: [7-acetamido-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-2-oxidanylidene-quinolin-3-yl] ethanoate Openeye Name: [7-acetamido-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-2-oxo-3-quinolyl] acetate CAS Name: acetic acid [7-acetamido-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-2-oxo-3-quinolinyl] ester IUPAC Name: [7-acetamido-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-2-oxoquinolin-3-yl] acetate Traditional Name: acetic acid [7-acetamido-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-2-keto-3-quinolyl] ester Formula: C29H40N2O5 MolecularWeight: 496.6383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)NC(=O)C)C(=C(C1=O)OC(=O)C)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)NC(=O)C)C(=C(C1=O)OC(=O)C)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C29H40N2O5/c1-7-8-9-10-17-31-26-19-24(30-22(5)32)14-15-25(26)27(28(29(31)34)36-23(6)33)35-18-16-21(4)13-11-12-20(2)3/h12,14-16,19H,7-11,13,17-18H2,1-6H3,(H,30,32)/b21-16+