2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-5-(1-oxopentylamino)benzoic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-5-(valerylamino)benzoic acid Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3/c1-2-3-5-18(24)21-15-6-7-17(16(14-15)19(25)26)23-12-10-22(11-13-23)9-4-8-20/h6-7,14H,2-5,9-13H2,1H3,(H,21,24)(H,25,26)