[(Z,1R)-1-[3-(2-hydroxyethyloxy)phenyl]-5-methylidene-4-quinolin-3-yl-non-3-enyl] pyridine-4-carboxylate

Systemtic Name: [(Z,1R)-1-[3-(2-hydroxyethyloxy)phenyl]-5-methylidene-4-quinolin-3-yl-non-3-enyl] pyridine-4-carboxylate Openeye Name: [(Z,1R)-1-[3-(2-hydroxyethoxy)phenyl]-5-methylene-4-(3-quinolyl)non-3-enyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(Z,1R)-1-[3-(2-hydroxyethoxy)phenyl]-5-methylene-4-(3-quinolinyl)non-3-enyl] ester IUPAC Name: [(Z,1R)-1-[3-(2-hydroxyethoxy)phenyl]-5-methylidene-4-quinolin-3-ylnon-3-enyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(1R,3Z)-5-butyl-1-[3-(2-hydroxyethoxy)phenyl]-4-(3-quinolyl)hexa-3,5-dienyl] ester Formula: C33H34N2O4 MolecularWeight: 522.63406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C(=CCC(C1=CC(=CC=C1)OCCO)OC(=O)C2=CC=NC=C2)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CCCCC(=C)/C(=C/C[C@H](C1=CC(=CC=C1)OCCO)OC(=O)C2=CC=NC=C2)/C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C33H34N2O4/c1-3-4-8-24(2)30(28-21-26-9-5-6-12-31(26)35-23-28)13-14-32(39-33(37)25-15-17-34-18-16-25)27-10-7-11-29(22-27)38-20-19-36/h5-7,9-13,15-18,21-23,32,36H,2-4,8,14,19-20H2,1H3/b30-13-/t32-/m1/s1