5-[1-(6-bromanylphenanthren-9-yl)-2-(diheptylamino)ethoxy]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[1-(6-bromanylphenanthren-9-yl)-2-(diheptylamino)ethoxy]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[1-(6-bromo-9-phenanthryl)-2-(diheptylamino)ethoxy]-5-oxo-pentanoic acid CAS Name: 5-[1-(6-bromo-9-phenanthrenyl)-2-(diheptylamino)ethoxy]-5-oxopentanoic acid IUPAC Name: 5-[1-(6-bromophenanthren-9-yl)-2-(diheptylamino)ethoxy]-5-oxopentanoic acid Traditional Name: 5-[1-(6-bromo-9-phenanthryl)-2-(diheptylamino)ethoxy]-5-keto-valeric acid Formula: C35H48BrNO4 MolecularWeight: 626.66392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H48BrNO4/c1-3-5-7-9-13-22-37(23-14-10-8-6-4-2)26-33(41-35(40)19-15-18-34(38)39)32-24-27-16-11-12-17-29(27)31-25-28(36)20-21-30(31)32/h11-12,16-17,20-21,24-25,33H,3-10,13-15,18-19,22-23,26H2,1-2H3,(H,38,39)