[(Z,1S)-1-[4-(2-hydroxyethyloxy)phenyl]-5-methylidene-4-quinolin-3-yl-non-3-enyl] ethanoate

Systemtic Name: [(Z,1S)-1-[4-(2-hydroxyethyloxy)phenyl]-5-methylidene-4-quinolin-3-yl-non-3-enyl] ethanoate Openeye Name: [(Z,1S)-1-[4-(2-hydroxyethoxy)phenyl]-5-methylene-4-(3-quinolyl)non-3-enyl] acetate CAS Name: acetic acid [(Z,1S)-1-[4-(2-hydroxyethoxy)phenyl]-5-methylene-4-(3-quinolinyl)non-3-enyl] ester IUPAC Name: [(Z,1S)-1-[4-(2-hydroxyethoxy)phenyl]-5-methylidene-4-quinolin-3-ylnon-3-enyl] acetate Traditional Name: acetic acid [(1S,3Z)-5-butyl-1-[4-(2-hydroxyethoxy)phenyl]-4-(3-quinolyl)hexa-3,5-dienyl] ester Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C(=CCC(C1=CC=C(C=C1)OCCO)OC(=O)C)C2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CCCCC(=C)/C(=C/C[C@@H](C1=CC=C(C=C1)OCCO)OC(=O)C)/C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C29H33NO4/c1-4-5-8-21(2)27(25-19-24-9-6-7-10-28(24)30-20-25)15-16-29(34-22(3)32)23-11-13-26(14-12-23)33-18-17-31/h6-7,9-15,19-20,29,31H,2,4-5,8,16-18H2,1,3H3/b27-15-/t29-/m0/s1