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

Systemtic Name: [(Z,1S)-1-[4-(2-hydroxyethyloxy)phenyl]-6-methyl-5-methylidene-4-quinolin-3-yl-hept-3-enyl] pyridine-4-carboxylate Openeye Name: [(Z,1S)-1-[4-(2-hydroxyethoxy)phenyl]-6-methyl-5-methylene-4-(3-quinolyl)hept-3-enyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(Z,1S)-1-[4-(2-hydroxyethoxy)phenyl]-6-methyl-5-methylene-4-(3-quinolinyl)hept-3-enyl] ester IUPAC Name: [(Z,1S)-1-[4-(2-hydroxyethoxy)phenyl]-6-methyl-5-methylidene-4-quinolin-3-ylhept-3-enyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(1S,3Z)-1-[4-(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=C(C=C1)OCCO)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=C(C=C1)OCCO)OC(=O)C2=CC=NC=C2)/C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C32H32N2O4/c1-22(2)23(3)29(27-20-26-6-4-5-7-30(26)34-21-27)12-13-31(38-32(36)25-14-16-33-17-15-25)24-8-10-28(11-9-24)37-19-18-35/h4-12,14-17,20-22,31,35H,3,13,18-19H2,1-2H3/b29-12-/t31-/m0/s1