N-butylbutan-1-amine; 2-(3,5-dimethyl-4-propoxy-phenyl)carbonyl-3-methyl-chromen-4-one; hydrochloride

Systemtic Name: N-butylbutan-1-amine; 2-(3,5-dimethyl-4-propoxy-phenyl)carbonyl-3-methyl-chromen-4-one; hydrochloride Openeye Name: N-butylbutan-1-amine; 2-(3,5-dimethyl-4-propoxy-benzoyl)-3-methyl-chromen-4-one; hydrochloride CAS Name: N-butyl-1-butanamine; 2-[(3,5-dimethyl-4-propoxyphenyl)-oxomethyl]-3-methyl-1-benzopyran-4-one; hydrochloride IUPAC Name: N-butylbutan-1-amine; 2-(3,5-dimethyl-4-propoxybenzoyl)-3-methylchromen-4-one; hydrochloride Traditional Name: dibutylamine; 2-(3,5-dimethyl-4-propoxy-benzoyl)-3-methyl-chromone; hydrochloride Formula: C30H42ClNO4 MolecularWeight: 516.11178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O4.C8H19N.ClH/c1-5-10-25-21-13(2)11-16(12-14(21)3)20(24)22-15(4)19(23)17-8-6-7-9-18(17)26-22;1-3-5-7-9-8-6-4-2;/h6-9,11-12H,5,10H2,1-4H3;9H,3-8H2,1-2H3;1H