5-[(4-methylphenyl)carbonylamino]-2-(4-propylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(4-methylphenyl)carbonylamino]-2-(4-propylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(4-methylbenzoyl)amino]-2-(4-propylpiperazin-1-yl)benzoic acid CAS Name: 5-[[(4-methylphenyl)-oxomethyl]amino]-2-(4-propyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(4-methylbenzoyl)amino]-2-(4-propylpiperazin-1-yl)benzoic acid Traditional Name: 2-(4-propylpiperazino)-5-(p-toluoylamino)benzoic acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C22H27N3O3/c1-3-10-24-11-13-25(14-12-24)20-9-8-18(15-19(20)22(27)28)23-21(26)17-6-4-16(2)5-7-17/h4-9,15H,3,10-14H2,1-2H3,(H,23,26)(H,27,28)