[(Z,1S)-1-[3-(2-hydroxyethyloxy)phenyl]-6-methyl-5-methylidene-4-quinolin-3-yl-hept-3-enyl] ethanoate

Systemtic Name: [(Z,1S)-1-[3-(2-hydroxyethyloxy)phenyl]-6-methyl-5-methylidene-4-quinolin-3-yl-hept-3-enyl] ethanoate Openeye Name: [(Z,1S)-1-[3-(2-hydroxyethoxy)phenyl]-6-methyl-5-methylene-4-(3-quinolyl)hept-3-enyl] acetate CAS Name: acetic acid [(Z,1S)-1-[3-(2-hydroxyethoxy)phenyl]-6-methyl-5-methylene-4-(3-quinolinyl)hept-3-enyl] ester IUPAC Name: [(Z,1S)-1-[3-(2-hydroxyethoxy)phenyl]-6-methyl-5-methylidene-4-quinolin-3-ylhept-3-enyl] acetate Traditional Name: acetic acid [(1S,3Z)-1-[3-(2-hydroxyethoxy)phenyl]-5-isopropyl-4-(3-quinolyl)hexa-3,5-dienyl] ester Formula: C28H31NO4 MolecularWeight: 445.55004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO4/c1-19(2)20(3)26(24-16-22-8-5-6-11-27(22)29-18-24)12-13-28(33-21(4)31)23-9-7-10-25(17-23)32-15-14-30/h5-12,16-19,28,30H,3,13-15H2,1-2,4H3/b26-12-/t28-/m0/s1