[1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxidanylidene-7-(prop-2-enylamino)quinolin-3-yl] methanoate

Systemtic Name: [1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxidanylidene-7-(prop-2-enylamino)quinolin-3-yl] methanoate Openeye Name: [7-(allylamino)-1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxo-3-quinolyl] formate CAS Name: formic acid [1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxo-7-(prop-2-enylamino)-3-quinolinyl] ester IUPAC Name: [1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxo-7-(prop-2-enylamino)quinolin-3-yl] formate Traditional Name: formic acid [7-(allylamino)-1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-keto-3-quinolyl] ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)NCC=C)C(=C(C1=O)OC=O)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)NCC=C)C(=C(C1=O)OC=O)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C27H36N2O4/c1-6-8-16-29-24-18-22(28-15-7-2)12-13-23(24)25(26(27(29)31)33-19-30)32-17-14-21(5)11-9-10-20(3)4/h7,10,12-14,18-19,28H,2,6,8-9,11,15-17H2,1,3-5H3/b21-14+