ethanoic acid; 2-methylpropyl 4-[3-(2-methylpropylamino)propanoylamino]benzoate

Systemtic Name: ethanoic acid; 2-methylpropyl 4-[3-(2-methylpropylamino)propanoylamino]benzoate Openeye Name: acetic acid; isobutyl 4-[3-(isobutylamino)propanoylamino]benzoate CAS Name: acetic acid; 4-[[3-(2-methylpropylamino)-1-oxopropyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: acetic acid; 2-methylpropyl 4-[3-(2-methylpropylamino)propanoylamino]benzoate Traditional Name: acetic acid; 4-[3-(isobutylamino)propanoylamino]benzoic acid isobutyl ester Formula: C20H32N2O5 MolecularWeight: 380.47848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCCC(=O)NC1=CC=C(C=C1)C(=O)OCC(C)C.CC(=O)O

Isomeric SMILES

CC(C)CNCCC(=O)NC1=CC=C(C=C1)C(=O)OCC(C)C.CC(=O)O

InChI

InChI=1S/C18H28N2O3.C2H4O2/c1-13(2)11-19-10-9-17(21)20-16-7-5-15(6-8-16)18(22)23-12-14(3)4;1-2(3)4/h5-8,13-14,19H,9-12H2,1-4H3,(H,20,21);1H3,(H,3,4)