[1-(4-oxidanylidene-2-phenyl-chromen-8-yl)oxy-3-[(phenylmethyl)-propyl-amino]propan-2-yl] benzoate hydrochloride

Systemtic Name: [1-(4-oxidanylidene-2-phenyl-chromen-8-yl)oxy-3-[(phenylmethyl)-propyl-amino]propan-2-yl] benzoate hydrochloride Openeye Name: [1-[[benzyl(propyl)amino]methyl]-2-(4-oxo-2-phenyl-chromen-8-yl)oxy-ethyl] benzoate hydrochloride CAS Name: benzoic acid [1-[(4-oxo-2-phenyl-1-benzopyran-8-yl)oxy]-3-[(phenylmethyl)-propylamino]propan-2-yl] ester hydrochloride IUPAC Name: [1-[benzyl(propyl)amino]-3-(4-oxo-2-phenylchromen-8-yl)oxypropan-2-yl] benzoate hydrochloride Traditional Name: benzoic acid [1-[[benzyl(propyl)amino]methyl]-2-(4-keto-2-phenyl-chromen-8-yl)oxy-ethyl] ester hydrochloride Formula: C35H34ClNO5 MolecularWeight: 584.10116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)CC(COC2=CC=CC3=C2OC(=CC3=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5.Cl

Isomeric SMILES

CCCN(CC1=CC=CC=C1)CC(COC2=CC=CC3=C2OC(=CC3=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C35H33NO5.ClH/c1-2-21-36(23-26-13-6-3-7-14-26)24-29(40-35(38)28-17-10-5-11-18-28)25-39-32-20-12-19-30-31(37)22-33(41-34(30)32)27-15-8-4-9-16-27;/h3-20,22,29H,2,21,23-25H2,1H3;1H