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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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