propyl 3,5-dimethyl-4-[2-(propylamino)propanoylamino]benzoate perchlorate

Systemtic Name: propyl 3,5-dimethyl-4-[2-(propylamino)propanoylamino]benzoate perchlorate Openeye Name: propyl 3,5-dimethyl-4-[2-(propylamino)propanoylamino]benzoate perchlorate CAS Name: 3,5-dimethyl-4-[[1-oxo-2-(propylamino)propyl]amino]benzoic acid propyl ester perchlorate IUPAC Name: propyl 3,5-dimethyl-4-[2-(propylamino)propanoylamino]benzoate perchlorate Traditional Name: 3,5-dimethyl-4-[2-(propylamino)propanoylamino]benzoic acid propyl ester perchlorate Formula: C18H28ClN2O7- MolecularWeight: 419.87712

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C)C(=O)NC1=C(C=C(C=C1C)C(=O)OCCC)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCNC(C)C(=O)NC1=C(C=C(C=C1C)C(=O)OCCC)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H28N2O3.ClHO4/c1-6-8-19-14(5)17(21)20-16-12(3)10-15(11-13(16)4)18(22)23-9-7-2;2-1(3,4)5/h10-11,14,19H,6-9H2,1-5H3,(H,20,21);(H,2,3,4,5)/p-1