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

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Openeye Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid CAS Name: 2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-5-(1-oxopentylamino)benzoic acid IUPAC Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Traditional Name: 2-[4-(2,5-dimethylphenyl)piperazino]-5-(valerylamino)benzoic acid Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)C)C)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)C)C)C(=O)O

InChI

InChI=1S/C24H31N3O3/c1-4-5-6-23(28)25-19-9-10-21(20(16-19)24(29)30)26-11-13-27(14-12-26)22-15-17(2)7-8-18(22)3/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,25,28)(H,29,30)