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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC(C)C)C(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC(C)C)C(=O)O

InChI

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