[7-azanyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-2-oxidanylidene-quinolin-3-yl] methanoate

Systemtic Name: [7-azanyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-2-oxidanylidene-quinolin-3-yl] methanoate Openeye Name: [7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-2-oxo-3-quinolyl] formate CAS Name: formic acid [7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-2-oxo-3-quinolinyl] ester IUPAC Name: [7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-2-oxoquinolin-3-yl] formate Traditional Name: formic acid [7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-keto-1-octyl-3-quinolyl] ester Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=CC(=C2)N)C(=C(C1=O)OC=O)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCN1C2=C(C=CC(=C2)N)C(=C(C1=O)OC=O)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C28H40N2O4/c1-5-6-7-8-9-10-17-30-25-19-23(29)14-15-24(25)26(27(28(30)32)34-20-31)33-18-16-22(4)13-11-12-21(2)3/h12,14-16,19-20H,5-11,13,17-18,29H2,1-4H3/b22-16+