5-acetamido-2-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 5-acetamido-2-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 5-acetamido-2-[4-[2-(butylamino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 5-acetamido-2-[4-[2-(butylamino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 5-acetamido-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 5-acetamido-2-[4-[2-(butylamino)-2-keto-ethyl]piperazino]benzoic acid Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C)C(=O)O

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C)C(=O)O

InChI

InChI=1S/C19H28N4O4/c1-3-4-7-20-18(25)13-22-8-10-23(11-9-22)17-6-5-15(21-14(2)24)12-16(17)19(26)27/h5-6,12H,3-4,7-11,13H2,1-2H3,(H,20,25)(H,21,24)(H,26,27)