3-(pentanoylamino)-4-(4-propylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-(pentanoylamino)-4-(4-propylpiperazin-1-yl)benzoic acid Openeye Name: 3-(pentanoylamino)-4-(4-propylpiperazin-1-yl)benzoic acid CAS Name: 3-(1-oxopentylamino)-4-(4-propyl-1-piperazinyl)benzoic acid IUPAC Name: 3-(pentanoylamino)-4-(4-propylpiperazin-1-yl)benzoic acid Traditional Name: 4-(4-propylpiperazino)-3-(valerylamino)benzoic acid Formula: C19H29N3O3 MolecularWeight: 347.45186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3/c1-3-5-6-18(23)20-16-14-15(19(24)25)7-8-17(16)22-12-10-21(9-4-2)11-13-22/h7-8,14H,3-6,9-13H2,1-2H3,(H,20,23)(H,24,25)