N-butylbutan-1-amine; 3-(3,5-dimethyl-4-propoxy-phenyl)carbonylchromen-4-one; hydrochloride

Systemtic Name: N-butylbutan-1-amine; 3-(3,5-dimethyl-4-propoxy-phenyl)carbonylchromen-4-one; hydrochloride Openeye Name: N-butylbutan-1-amine; 3-(3,5-dimethyl-4-propoxy-benzoyl)chromen-4-one; hydrochloride CAS Name: N-butyl-1-butanamine; 3-[(3,5-dimethyl-4-propoxyphenyl)-oxomethyl]-1-benzopyran-4-one; hydrochloride IUPAC Name: N-butylbutan-1-amine; 3-(3,5-dimethyl-4-propoxybenzoyl)chromen-4-one; hydrochloride Traditional Name: dibutylamine; 3-(3,5-dimethyl-4-propoxy-benzoyl)chromone; hydrochloride Formula: C29H40ClNO4 MolecularWeight: 502.0852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCC.CCCOC1=C(C=C(C=C1C)C(=O)C2=COC3=CC=CC=C3C2=O)C.Cl

Isomeric SMILES

CCCCNCCCC.CCCOC1=C(C=C(C=C1C)C(=O)C2=COC3=CC=CC=C3C2=O)C.Cl

InChI

InChI=1S/C21H20O4.C8H19N.ClH/c1-4-9-24-21-13(2)10-15(11-14(21)3)19(22)17-12-25-18-8-6-5-7-16(18)20(17)23;1-3-5-7-9-8-6-4-2;/h5-8,10-12H,4,9H2,1-3H3;9H,3-8H2,1-2H3;1H