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

Systemtic Name: 3-benzamido-4-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 3-benzamido-4-[4-[2-(butylamino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 3-benzamido-4-[4-[2-(butylamino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-benzamido-4-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 3-benzamido-4-[4-[2-(butylamino)-2-keto-ethyl]piperazino]benzoic acid Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4/c1-2-3-11-25-22(29)17-27-12-14-28(15-13-27)21-10-9-19(24(31)32)16-20(21)26-23(30)18-7-5-4-6-8-18/h4-10,16H,2-3,11-15,17H2,1H3,(H,25,29)(H,26,30)(H,31,32)