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

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazino]-5-propionamido-benzoic acid Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c1-3-20(26)23-16-6-7-18(17(13-16)21(27)28)24-8-10-25(11-9-24)19-12-15(22)5-4-14(19)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,26)(H,27,28)