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

Systemtic Name: 5-[(4-methoxyphenyl)carbonylamino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]benzoic acid Openeye Name: 2-[4-(1,3-dimethylbutyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]benzoic acid CAS Name: 5-[[(4-methoxyphenyl)-oxomethyl]amino]-2-[4-(4-methylpentan-2-yl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(4-methoxybenzoyl)amino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]benzoic acid Traditional Name: 2-[4-(1,3-dimethylbutyl)piperazino]-5-(p-anisoylamino)benzoic acid Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC(C)CC(C)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C25H33N3O4/c1-17(2)15-18(3)27-11-13-28(14-12-27)23-10-7-20(16-22(23)25(30)31)26-24(29)19-5-8-21(32-4)9-6-19/h5-10,16-18H,11-15H2,1-4H3,(H,26,29)(H,30,31)