5-benzamido-2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 5-benzamido-2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]benzoic acid Openeye Name: 5-benzamido-2-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 5-benzamido-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 5-benzamido-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]benzoic acid Traditional Name: 5-benzamido-2-[4-[2-(isopropylamino)-2-keto-ethyl]piperazino]benzoic acid Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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