3-benzamido-4-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-benzamido-4-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]benzoic acid Openeye Name: 3-benzamido-4-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]benzoic acid CAS Name: 3-benzamido-4-[4-[2-oxo-2-(propylamino)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-benzamido-4-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]benzoic acid Traditional Name: 3-benzamido-4-[4-[2-keto-2-(propylamino)ethyl]piperazino]benzoic acid Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O4/c1-2-10-24-21(28)16-26-11-13-27(14-12-26)20-9-8-18(23(30)31)15-19(20)25-22(29)17-6-4-3-5-7-17/h3-9,15H,2,10-14,16H2,1H3,(H,24,28)(H,25,29)(H,30,31)