2-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]-5-(propanoylamino)benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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