3-acetamido-4-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-acetamido-4-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 3-acetamido-4-[4-[2-(diethylamino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 3-acetamido-4-[4-[2-(diethylamino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-acetamido-4-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 3-acetamido-4-[4-[2-(diethylamino)-2-keto-ethyl]piperazino]benzoic acid Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C

Isomeric SMILES

CCN(CC)C(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C

InChI

InChI=1S/C19H28N4O4/c1-4-22(5-2)18(25)13-21-8-10-23(11-9-21)17-7-6-15(19(26)27)12-16(17)20-14(3)24/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,20,24)(H,26,27)