8-[2-oxidanyl-3-[phenethyl-(phenylmethyl)amino]propoxy]-3-phenyl-chromen-4-one hydrochloride

Systemtic Name: 8-[2-oxidanyl-3-[phenethyl-(phenylmethyl)amino]propoxy]-3-phenyl-chromen-4-one hydrochloride Openeye Name: 8-[3-[benzyl(phenethyl)amino]-2-hydroxy-propoxy]-3-phenyl-chromen-4-one hydrochloride CAS Name: 8-[2-hydroxy-3-[phenethyl-(phenylmethyl)amino]propoxy]-3-phenyl-1-benzopyran-4-one hydrochloride IUPAC Name: 8-[3-[benzyl(phenethyl)amino]-2-hydroxypropoxy]-3-phenylchromen-4-one hydrochloride Traditional Name: 8-[3-[benzyl(phenethyl)amino]-2-hydroxy-propoxy]-3-phenyl-chromone hydrochloride Formula: C33H32ClNO4 MolecularWeight: 542.06448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)CC(COC3=CC=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)CC(COC3=CC=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O.Cl

InChI

InChI=1S/C33H31NO4.ClH/c35-28(22-34(21-26-13-6-2-7-14-26)20-19-25-11-4-1-5-12-25)23-37-31-18-10-17-29-32(36)30(24-38-33(29)31)27-15-8-3-9-16-27;/h1-18,24,28,35H,19-23H2;1H