2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-5-(1-oxopentylamino)benzoic acid IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazino]-5-(valerylamino)benzoic acid Formula: C23H28ClN3O3 MolecularWeight: 429.93972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O3/c1-3-4-5-22(28)25-18-8-9-20(19(15-18)23(29)30)26-10-12-27(13-11-26)21-14-17(24)7-6-16(21)2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,25,28)(H,29,30)