4,4-bis[3-chloranyl-4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid

Systemtic Name: 4,4-bis[3-chloranyl-4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid Openeye Name: 4,4-bis[3-chloro-4-(2-quinolylmethoxy)phenyl]pentanoic acid CAS Name: 4,4-bis[3-chloro-4-(2-quinolinylmethoxy)phenyl]pentanoic acid IUPAC Name: 4,4-bis[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid Traditional Name: 4,4-bis[3-chloro-4-(2-quinolylmethoxy)phenyl]valeric acid Formula: C37H30Cl2N2O4 MolecularWeight: 637.5511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(C1=CC(=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)Cl)C4=CC(=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)Cl

Isomeric SMILES

CC(CCC(=O)O)(C1=CC(=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)Cl)C4=CC(=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)Cl

InChI

InChI=1S/C37H30Cl2N2O4/c1-37(19-18-36(42)43,26-12-16-34(30(38)20-26)44-22-28-14-10-24-6-2-4-8-32(24)40-28)27-13-17-35(31(39)21-27)45-23-29-15-11-25-7-3-5-9-33(25)41-29/h2-17,20-21H,18-19,22-23H2,1H3,(H,42,43)