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

Systemtic Name: [(Z,1R)-1-[2-(2-hydroxyethyloxy)phenyl]-6-methyl-5-methylidene-4-quinolin-3-yl-hept-3-enyl] pyridine-4-carboxylate Openeye Name: [(Z,1R)-1-[2-(2-hydroxyethoxy)phenyl]-6-methyl-5-methylene-4-(3-quinolyl)hept-3-enyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(Z,1R)-1-[2-(2-hydroxyethoxy)phenyl]-6-methyl-5-methylene-4-(3-quinolinyl)hept-3-enyl] ester IUPAC Name: [(Z,1R)-1-[2-(2-hydroxyethoxy)phenyl]-6-methyl-5-methylidene-4-quinolin-3-ylhept-3-enyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(1R,3Z)-1-[2-(2-hydroxyethoxy)phenyl]-5-isopropyl-4-(3-quinolyl)hexa-3,5-dienyl] ester Formula: C32H32N2O4 MolecularWeight: 508.60748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C)C(=CCC(C1=CC=CC=C1OCCO)OC(=O)C2=CC=NC=C2)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C)C(=C)/C(=C/C[C@H](C1=CC=CC=C1OCCO)OC(=O)C2=CC=NC=C2)/C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C32H32N2O4/c1-22(2)23(3)27(26-20-25-8-4-6-10-29(25)34-21-26)12-13-31(38-32(36)24-14-16-33-17-15-24)28-9-5-7-11-30(28)37-19-18-35/h4-12,14-17,20-22,31,35H,3,13,18-19H2,1-2H3/b27-12-/t31-/m1/s1