(Z)-4-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: (Z)-4-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: (Z)-4-(3-chloro-5-ethoxy-4-methoxy-phenyl)-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: (Z)-4-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: (Z)-4-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: (Z)-4-(3-chloro-5-ethoxy-4-methoxy-phenyl)-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C22H18ClNO5 MolecularWeight: 411.83502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C2=NC3=CC=CC=C3C=C2)C(=O)C(=O)O)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(/C2=NC3=CC=CC=C3C=C2)\C(=O)C(=O)O)Cl)OC

InChI

InChI=1S/C22H18ClNO5/c1-3-29-19-12-13(11-16(23)21(19)28-2)10-15(20(25)22(26)27)18-9-8-14-6-4-5-7-17(14)24-18/h4-12H,3H2,1-2H3,(H,26,27)/b15-10-