5-azanyl-7-[[5-(3-methoxypropoxy)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-2,8-dimethyl-4-oxidanyl-nonanoic acid; butanamide; hydrochloride

Systemtic Name: 5-azanyl-7-[[5-(3-methoxypropoxy)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-2,8-dimethyl-4-oxidanyl-nonanoic acid; butanamide; hydrochloride Openeye Name: 5-amino-4-hydroxy-7-[[5-(3-methoxypropoxy)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-2,8-dimethyl-nonanoic acid; butanamide; hydrochloride CAS Name: 5-amino-4-hydroxy-7-[[5-(3-methoxypropoxy)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-2,8-dimethylnonanoic acid; butanamide; hydrochloride IUPAC Name: 5-amino-4-hydroxy-7-[[5-(3-methoxypropoxy)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-2,8-dimethylnonanoic acid; butanamide; hydrochloride Traditional Name: 5-amino-4-hydroxy-7-[[5-(3-methoxypropoxy)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-2,8-dimethyl-pelargonic acid; butyramide; hydrochloride Formula: C28H49ClN2O8 MolecularWeight: 577.15026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N.CC(C)C(CC1=CC2=C(C(=C1)OCCCOC)OCCO2)CC(C(CC(C)C(=O)O)O)N.Cl

Isomeric SMILES

CCCC(=O)N.CC(C)C(CC1=CC2=C(C(=C1)OCCCOC)OCCO2)CC(C(CC(C)C(=O)O)O)N.Cl

InChI

InChI=1S/C24H39NO7.C4H9NO.ClH/c1-15(2)18(14-19(25)20(26)10-16(3)24(27)28)11-17-12-21(30-7-5-6-29-4)23-22(13-17)31-8-9-32-23;1-2-3-4(5)6;/h12-13,15-16,18-20,26H,5-11,14,25H2,1-4H3,(H,27,28);2-3H2,1H3,(H2,5,6);1H