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

Systemtic Name: 8-[2-oxidanyl-3-[(phenylmethyl)-propyl-amino]propoxy]-2-phenyl-chromen-4-one hydrochloride Openeye Name: 8-[3-[benzyl(propyl)amino]-2-hydroxy-propoxy]-2-phenyl-chromen-4-one hydrochloride CAS Name: 8-[2-hydroxy-3-[(phenylmethyl)-propylamino]propoxy]-2-phenyl-1-benzopyran-4-one hydrochloride IUPAC Name: 8-[3-[benzyl(propyl)amino]-2-hydroxypropoxy]-2-phenylchromen-4-one hydrochloride Traditional Name: 8-[3-[benzyl(propyl)amino]-2-hydroxy-propoxy]-2-phenyl-chromone hydrochloride Formula: C28H30ClNO4 MolecularWeight: 479.9951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO4.ClH/c1-2-16-29(18-21-10-5-3-6-11-21)19-23(30)20-32-26-15-9-14-24-25(31)17-27(33-28(24)26)22-12-7-4-8-13-22;/h3-15,17,23,30H,2,16,18-20H2,1H3;1H