quinoline-2-carbaldehyde; (E)-7-quinolin-2-ylhept-6-enoic acid

Systemtic Name: quinoline-2-carbaldehyde; (E)-7-quinolin-2-ylhept-6-enoic acid Openeye Name: quinoline-2-carbaldehyde; (E)-7-(2-quinolyl)hept-6-enoic acid CAS Name: 2-quinolinecarboxaldehyde; (E)-7-(2-quinolinyl)-6-heptenoic acid IUPAC Name: quinoline-2-carbaldehyde; (E)-7-quinolin-2-ylhept-6-enoic acid Traditional Name: quinaldaldehyde; (E)-7-(2-quinolyl)hept-6-enoic acid Formula: C26H24N2O3 MolecularWeight: 412.48036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C=CCCCCC(=O)O.C1=CC=C2C(=C1)C=CC(=N2)C=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/CCCCC(=O)O.C1=CC=C2C(=C1)C=CC(=N2)C=O

InChI

InChI=1S/C16H17NO2.C10H7NO/c18-16(19)10-4-2-1-3-8-14-12-11-13-7-5-6-9-15(13)17-14;12-7-9-6-5-8-3-1-2-4-10(8)11-9/h3,5-9,11-12H,1-2,4,10H2,(H,18,19);1-7H/b8-3+;