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

Systemtic Name: 3-acetamido-4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]benzoic acid Openeye Name: 3-acetamido-4-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-yl]benzoic acid CAS Name: 3-acetamido-4-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-acetamido-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid Traditional Name: 3-acetamido-4-[4-(2-keto-2-morpholino-ethyl)piperazino]benzoic acid Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC(=O)N3CCOCC3

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C19H26N4O5/c1-14(24)20-16-12-15(19(26)27)2-3-17(16)22-6-4-21(5-7-22)13-18(25)23-8-10-28-11-9-23/h2-3,12H,4-11,13H2,1H3,(H,20,24)(H,26,27)