2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(3-methylphenyl)carbonylamino]benzoic acid

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(3-methylphenyl)carbonylamino]benzoic acid Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-5-(m-toluoylamino)benzoic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4OC)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4OC)C(=O)O

InChI

InChI=1S/C26H27N3O4/c1-18-6-5-7-19(16-18)25(30)27-20-10-11-22(21(17-20)26(31)32)28-12-14-29(15-13-28)23-8-3-4-9-24(23)33-2/h3-11,16-17H,12-15H2,1-2H3,(H,27,30)(H,31,32)