2,4-bis(azanyl)-3-[3-[2-(2-methoxyethyl)piperazin-1-yl]propyl]benzoate

Systemtic Name: 2,4-bis(azanyl)-3-[3-[2-(2-methoxyethyl)piperazin-1-yl]propyl]benzoate Openeye Name: 2,4-diamino-3-[3-[2-(2-methoxyethyl)piperazin-1-yl]propyl]benzoate CAS Name: 2,4-diamino-3-[3-[2-(2-methoxyethyl)-1-piperazinyl]propyl]benzoate IUPAC Name: 2,4-diamino-3-[3-[2-(2-methoxyethyl)piperazin-1-yl]propyl]benzoate Traditional Name: 2,4-diamino-3-[3-[2-(2-methoxyethyl)piperazino]propyl]benzoate Formula: C17H27N4O3- MolecularWeight: 335.42128

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1CNCCN1CCCC2=C(C=CC(=C2N)C(=O)[O-])N

Isomeric SMILES

COCCC1CNCCN1CCCC2=C(C=CC(=C2N)C(=O)[O-])N

InChI

InChI=1S/C17H28N4O3/c1-24-10-6-12-11-20-7-9-21(12)8-2-3-13-15(18)5-4-14(16(13)19)17(22)23/h4-5,12,20H,2-3,6-11,18-19H2,1H3,(H,22,23)/p-1