bis[3-[(2-naphthalen-2-ylquinolin-4-yl)amino]propyl] butanedioate

Systemtic Name: bis[3-[(2-naphthalen-2-ylquinolin-4-yl)amino]propyl] butanedioate Openeye Name: bis[3-[[2-(2-naphthyl)-4-quinolyl]amino]propyl] butanedioate CAS Name: butanedioic acid bis[3-[[2-(2-naphthalenyl)-4-quinolinyl]amino]propyl] ester IUPAC Name: bis[3-[(2-naphthalen-2-ylquinolin-4-yl)amino]propyl] butanedioate Traditional Name: succinic acid bis[3-[[2-(2-naphthyl)-4-quinolyl]amino]propyl] ester Formula: C48H42N4O4 MolecularWeight: 738.87148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=NC4=CC=CC=C4C(=C3)NCCCOC(=O)CCC(=O)OCCCNC5=CC(=NC6=CC=CC=C65)C7=CC8=CC=CC=C8C=C7

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NC4=CC=CC=C4C(=C3)NCCCOC(=O)CCC(=O)OCCCNC5=CC(=NC6=CC=CC=C65)C7=CC8=CC=CC=C8C=C7

InChI

InChI=1S/C48H42N4O4/c53-47(55-27-9-25-49-45-31-43(51-41-17-7-5-15-39(41)45)37-21-19-33-11-1-3-13-35(33)29-37)23-24-48(54)56-28-10-26-50-46-32-44(52-42-18-8-6-16-40(42)46)38-22-20-34-12-2-4-14-36(34)30-38/h1-8,11-22,29-32H,9-10,23-28H2,(H,49,51)(H,50,52)