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

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(3-methylphenyl)carbonylamino]benzoic acid Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazinyl]-5-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid Traditional Name: 2-[4-(3-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=C4)OC)C(=O)O

Isomeric SMILES

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

InChI

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