2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid

Systemtic Name: 2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Openeye Name: 2-[3-methyl-4-(m-tolyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid CAS Name: 2-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-5-(1-oxopentylamino)benzoic acid IUPAC Name: 2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Traditional Name: 2-[3-methyl-4-(m-tolyl)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(C(C2)C)C3=CC=CC(=C3)C)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C=C1)N2CCN(C(C2)C)C3=CC=CC(=C3)C)C(=O)O

InChI

InChI=1S/C24H31N3O3/c1-4-5-9-23(28)25-19-10-11-22(21(15-19)24(29)30)26-12-13-27(18(3)16-26)20-8-6-7-17(2)14-20/h6-8,10-11,14-15,18H,4-5,9,12-13,16H2,1-3H3,(H,25,28)(H,29,30)