2-[4-[3-(dibutylamino)propoxy]-3,5-dimethyl-phenyl]carbonyl-3-methyl-chromen-4-one hydrochloride

Systemtic Name: 2-[4-[3-(dibutylamino)propoxy]-3,5-dimethyl-phenyl]carbonyl-3-methyl-chromen-4-one hydrochloride Openeye Name: 2-[4-[3-(dibutylamino)propoxy]-3,5-dimethyl-benzoyl]-3-methyl-chromen-4-one hydrochloride CAS Name: 2-[[4-[3-(dibutylamino)propoxy]-3,5-dimethylphenyl]-oxomethyl]-3-methyl-1-benzopyran-4-one hydrochloride IUPAC Name: 2-[4-[3-(dibutylamino)propoxy]-3,5-dimethylbenzoyl]-3-methylchromen-4-one hydrochloride Traditional Name: 2-[4-[3-(dibutylamino)propoxy]-3,5-dimethyl-benzoyl]-3-methyl-chromone hydrochloride Formula: C30H40ClNO4 MolecularWeight: 514.0959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC1=C(C=C(C=C1C)C(=O)C2=C(C(=O)C3=CC=CC=C3O2)C)C.Cl

Isomeric SMILES

CCCCN(CCCC)CCCOC1=C(C=C(C=C1C)C(=O)C2=C(C(=O)C3=CC=CC=C3O2)C)C.Cl

InChI

InChI=1S/C30H39NO4.ClH/c1-6-8-15-31(16-9-7-2)17-12-18-34-29-21(3)19-24(20-22(29)4)28(33)30-23(5)27(32)25-13-10-11-14-26(25)35-30;/h10-11,13-14,19-20H,6-9,12,15-18H2,1-5H3;1H