3-acetamido-4-[4-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-acetamido-4-[4-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 3-acetamido-4-[4-[2-(3-methoxypropylamino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 3-acetamido-4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-acetamido-4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 3-acetamido-4-[4-[2-keto-2-(3-methoxypropylamino)ethyl]piperazino]benzoic acid Formula: C19H28N4O5 MolecularWeight: 392.44942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC(=O)NCCCOC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC(=O)NCCCOC

InChI

InChI=1S/C19H28N4O5/c1-14(24)21-16-12-15(19(26)27)4-5-17(16)23-9-7-22(8-10-23)13-18(25)20-6-3-11-28-2/h4-5,12H,3,6-11,13H2,1-2H3,(H,20,25)(H,21,24)(H,26,27)