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

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 2-[4-(2,5-dimethylphenyl)piperazino]-5-propionamido-benzoic acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-4-21(26)23-17-7-8-19(18(14-17)22(27)28)24-9-11-25(12-10-24)20-13-15(2)5-6-16(20)3/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,26)(H,27,28)