[1-(6-bromanylphenanthren-9-yl)-2-(diheptylamino)ethyl] ethanoate

Systemtic Name: [1-(6-bromanylphenanthren-9-yl)-2-(diheptylamino)ethyl] ethanoate Openeye Name: [1-(6-bromo-9-phenanthryl)-2-(diheptylamino)ethyl] acetate CAS Name: acetic acid [1-(6-bromo-9-phenanthrenyl)-2-(diheptylamino)ethyl] ester IUPAC Name: [1-(6-bromophenanthren-9-yl)-2-(diheptylamino)ethyl] acetate Traditional Name: acetic acid [1-(6-bromo-9-phenanthryl)-2-(diheptylamino)ethyl] ester Formula: C32H44BrNO2 MolecularWeight: 554.60126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCCC)CC(C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)OC(=O)C

Isomeric SMILES

CCCCCCCN(CCCCCCC)CC(C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)OC(=O)C

InChI

InChI=1S/C32H44BrNO2/c1-4-6-8-10-14-20-34(21-15-11-9-7-5-2)24-32(36-25(3)35)31-22-26-16-12-13-17-28(26)30-23-27(33)18-19-29(30)31/h12-13,16-19,22-23,32H,4-11,14-15,20-21,24H2,1-3H3