1,2-bis[3-[3-(azepan-1-yl)propoxy]phenyl]ethane-1,2-dione

Systemtic Name: 1,2-bis[3-[3-(azepan-1-yl)propoxy]phenyl]ethane-1,2-dione Openeye Name: 1,2-bis[3-[3-(azepan-1-yl)propoxy]phenyl]ethane-1,2-dione CAS Name: 1,2-bis[3-[3-(1-azepanyl)propoxy]phenyl]ethane-1,2-dione IUPAC Name: 1,2-bis[3-[3-(azepan-1-yl)propoxy]phenyl]ethane-1,2-dione Traditional Name: 1,2-bis[3-[3-(azepan-1-yl)propoxy]phenyl]ethane-1,2-dione Formula: C32H44N2O4 MolecularWeight: 520.70276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCOC2=CC=CC(=C2)C(=O)C(=O)C3=CC(=CC=C3)OCCCN4CCCCCC4

Isomeric SMILES

C1CCCN(CC1)CCCOC2=CC=CC(=C2)C(=O)C(=O)C3=CC(=CC=C3)OCCCN4CCCCCC4

InChI

InChI=1S/C32H44N2O4/c35-31(27-13-9-15-29(25-27)37-23-11-21-33-17-5-1-2-6-18-33)32(36)28-14-10-16-30(26-28)38-24-12-22-34-19-7-3-4-8-20-34/h9-10,13-16,25-26H,1-8,11-12,17-24H2