5-methyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 5-methyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 2-[(4-tert-butoxycarbonylpiperazine-1-carbonyl)amino]-5-methyl-benzoic acid CAS Name: 5-methyl-2-[[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-methyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 2-[(4-tert-butoxycarbonylpiperazine-1-carbonyl)amino]-5-methyl-benzoic acid Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C18H25N3O5/c1-12-5-6-14(13(11-12)15(22)23)19-16(24)20-7-9-21(10-8-20)17(25)26-18(2,3)4/h5-6,11H,7-10H2,1-4H3,(H,19,24)(H,22,23)