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

Systemtic Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Openeye Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid CAS Name: 2-[4-(4-chlorophenyl)-1-piperazinyl]-5-(1-oxopentylamino)benzoic acid IUPAC Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Traditional Name: 2-[4-(4-chlorophenyl)piperazino]-5-(valerylamino)benzoic acid Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3/c1-2-3-4-21(27)24-17-7-10-20(19(15-17)22(28)29)26-13-11-25(12-14-26)18-8-5-16(23)6-9-18/h5-10,15H,2-4,11-14H2,1H3,(H,24,27)(H,28,29)