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

Systemtic Name: [1-(6-bromanylphenanthren-9-yl)-2-(diheptylamino)ethyl] ethanoate hydrochloride Openeye Name: [1-(6-bromo-9-phenanthryl)-2-(diheptylamino)ethyl] acetate hydrochloride CAS Name: acetic acid [1-(6-bromo-9-phenanthrenyl)-2-(diheptylamino)ethyl] ester hydrochloride IUPAC Name: [1-(6-bromophenanthren-9-yl)-2-(diheptylamino)ethyl] acetate hydrochloride Traditional Name: acetic acid [1-(6-bromo-9-phenanthryl)-2-(diheptylamino)ethyl] ester hydrochloride Formula: C32H45BrClNO2 MolecularWeight: 591.0622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44BrNO2.ClH/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;1H