2-(4-ethoxycarbonylpiperazin-1-yl)-5-(pentanoylamino)benzoic acid

Systemtic Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-(pentanoylamino)benzoic acid Openeye Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-(pentanoylamino)benzoic acid CAS Name: 2-(4-ethoxycarbonyl-1-piperazinyl)-5-(1-oxopentylamino)benzoic acid IUPAC Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-(pentanoylamino)benzoic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-(valerylamino)benzoic acid Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OCC)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OCC)C(=O)O

InChI

InChI=1S/C19H27N3O5/c1-3-5-6-17(23)20-14-7-8-16(15(13-14)18(24)25)21-9-11-22(12-10-21)19(26)27-4-2/h7-8,13H,3-6,9-12H2,1-2H3,(H,20,23)(H,24,25)