7-[2-oxidanyl-3-(propylamino)propoxy]-2-phenyl-3-(phenylmethyl)chromen-4-one hydrochloride

Systemtic Name: 7-[2-oxidanyl-3-(propylamino)propoxy]-2-phenyl-3-(phenylmethyl)chromen-4-one hydrochloride Openeye Name: 3-benzyl-7-[2-hydroxy-3-(propylamino)propoxy]-2-phenyl-chromen-4-one hydrochloride CAS Name: 7-[2-hydroxy-3-(propylamino)propoxy]-2-phenyl-3-(phenylmethyl)-1-benzopyran-4-one hydrochloride IUPAC Name: 3-benzyl-7-[2-hydroxy-3-(propylamino)propoxy]-2-phenylchromen-4-one hydrochloride Traditional Name: 3-benzyl-7-[2-hydroxy-3-(propylamino)propoxy]-2-phenyl-chromone hydrochloride Formula: C28H30ClNO4 MolecularWeight: 479.9951

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=CC=C3)CC4=CC=CC=C4)O.Cl

Isomeric SMILES

CCCNCC(COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=CC=C3)CC4=CC=CC=C4)O.Cl

InChI

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