[(Z,1S)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-quinolin-3-yl-non-3-enyl] pyridine-4-carboxylate

Systemtic Name: [(Z,1S)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-quinolin-3-yl-non-3-enyl] pyridine-4-carboxylate Openeye Name: [(Z,1S)-1-[5-(hydroxymethyl)-2-furyl]-5-methylene-4-(3-quinolyl)non-3-enyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(Z,1S)-1-[5-(hydroxymethyl)-2-furanyl]-5-methylene-4-(3-quinolinyl)non-3-enyl] ester IUPAC Name: [(Z,1S)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-quinolin-3-ylnon-3-enyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(1S,3Z)-5-butyl-1-(5-methylol-2-furyl)-4-(3-quinolyl)hexa-3,5-dienyl] ester Formula: C30H30N2O4 MolecularWeight: 482.5702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C(=CCC(C1=CC=C(O1)CO)OC(=O)C2=CC=NC=C2)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CCCCC(=C)/C(=C/C[C@@H](C1=CC=C(O1)CO)OC(=O)C2=CC=NC=C2)/C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C30H30N2O4/c1-3-4-7-21(2)26(24-18-23-8-5-6-9-27(23)32-19-24)11-13-29(28-12-10-25(20-33)35-28)36-30(34)22-14-16-31-17-15-22/h5-6,8-12,14-19,29,33H,2-4,7,13,20H2,1H3/b26-11-/t29-/m0/s1